Basic information
- CAS
84392-17-6- Standard SMILES
O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1- InChIKey
IQOMYCGTGFGDFN-UHFFFAOYSA-N- Molecular formula
- C14H9F3O2
- Average molar mass
- 266.21 g/mol
- Monoisotopic mass
- 266.05546419
Overview
Xenalipin is a small molecule drug. Xenalipin has a monoisotopic molecular weight of 266.06 Da.
Names & identifiers
- Preferred name
- 4'-(Trifluoromethyl)(1,1'-biphenyl)-2-carboxylic acid
- IUPAC
- 2-[4-(trifluoromethyl)phenyl]benzoic acid
- English name
- 4-(Trifluoromethyl)-2'-biphenylcarboxylic acid
- Molecular formula
- C14H9F3O2
- Molecular weight
- 266.22
Names & synonyms
84392-17-6XENALIPIN2-[4-(trifluoromethyl)phenyl]benzoic acidXenalipineXenalipinaXenalipinumBW 207UDTXSID0046565BW-207UDTXCID80265654'-(Trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid28W00I603X
Show more names
AKOS BAR-0249RARECHEM AL BO 1014Chemical raw materialsXenalipin, 10 mM in DMSO4-(2-Carboxyphenyl)benzotrifluoride2-[4-(trifluoromethyl)phenyl]benzoate4'-TRIFLUOROMETHYL-BIPHENYL-2-CARBOXYLIC ACID
(1,1'-Biphenyl)-2-carboxylic acid, 4'-(trifluoromethyl)-4'-Trifluoromethyl-2-biphenylcarboxylic acid[1,1'-BIPHENYL]-2-CARBOXYLIC ACID, 4'-(TRIFLUOROMETHYL)-2-(4-(trifluoromethyl)phenyl)benzoic acid4'-(Trifluoromethyl)(1,1'-biphenyl)-2-carboxylic acidRefChem:9023494-(Trifluoromethyl)-2'-biphenylcarboxylic acid4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
84392-17-6- PubChem CID
- 55251
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 169 · 169-171 °C(lit.)
- Boiling point
- 335.8 · 335.8±37.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.7 · 3.70±0.36(Predicted)
- color
- White to Almost white
- BRN
- 7577560 · 7577560
- InChI
- InChI=1S/C14H9F3O2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)
- InChIKey
- IQOMYCGTGFGDFN-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(C(F)(F)F)C=C2)=CC=CC=C1C(O)=O
- CAS DataBase Reference
- 84392 · 84392-17-6(CAS DataBase Reference)
- FDA UNII
- 28 W00I603X · 28W00I603X
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29162090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesHypolipidemic.
Uses4''-(Trifluoromethyl)-2-biphenylcarboxylic Acid, is a novel compound which has been found to be effective hypolipidemic agent in animal species. It is also an intermediate in the synthesis of various pharmaceutical compounds, such as Cannabinol (C175350).
General Description4′-(Trifluoromethyl)-2-biphenylcarboxylic acid (xenalipin) has been tested as an effective hypolipidemic agent in animal species. It has been shown to cause significant reduction in serum cholesterol and triglyceride levels in animal models and would be beneficial in therapy for hyperlipidemia. Synthesis of 4′-(trifluoromethyl)-2-biphenylcarboxylic acid (xenalipin) has been reported. Xenalipin has been synthesized in the [14C]-labelled form, with specific activity 21.0mCi/mmol, which is suitable for the metabolism and distribution studies in animals.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
Related reactions
67 records
Compound notes
Loading…