Basic information
- CAS
302-33-0- Standard SMILES
CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1- InChIKey
SNTQPLDRUZOSDP-UHFFFAOYSA-N- Molecular formula
- C23H31NO2
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.23547923
Overview
2,2-diphenylpentanoic acid 2-(diethylamino)ethyl ester is a diarylmethane.
Names & identifiers
- Preferred name
- Proadifen
- IUPAC
- 2-(diethylamino)ethyl 2,2-diphenylpentanoate
- English name
- Proadifen
- Molecular formula
- C23H31NO2
- Molecular weight
- 353.5
Names & synonyms
proadifen302-33-0ProadifeneProadifenoProadifenumPropyladipheninA510CA4CBTDTXSID2048452Benzeneacetic acid, alpha-phenyl-alpha-propyl-, 2-(diethylamino)ethyl esterRefChem:176093DTXCID8028426Acetate, Diethylaminoethyldiphenylpropyl
Show more names
D011335Sk 525aRP-5171HL-8727Glycine Impurity 21Hydrochloride, proadifen2,2-Diphenylvaleric acid 2-(diethylamino)ethyl
Diethylaminoethyldiphenylpropyl AcetateEthyl aprofen2-(Diethylamino)ethyl 2,2-diphenylpentanoateProadifen [INN]HL 87272-Diethylaminoethyl propyldiphenylacetate2-Diethylaminoethyl-2,2-diphenylvalerateACETIC ACID, PROPYLDIPHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER
Database identifiers
- CAS
302-33-0- PubChem CID
- 4910
- DTXSID
DTXSID2048452- ChEMBL
CHEMBL282567
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
LogP4.65
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section197.74 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 486.9 °C · 486.9°C (rough estimate)
- Density
- 1.0678 · 1.0678 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- pka
- 9.2 · 9.20±0.25(Predicted)
- FDA UNII
- 510 CA4CBT · A510CA4CBT
- EPA Substance Registry System
- 2 · Benzeneacetic acid, .alpha.-phenyl-.alpha.-propyl-, 2-(diethylamino)ethyl ester (302-33-0)
- Toxicity
- 500 mg/kg · LDLo oral in rat: 500mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LDLo oral in rat: 500mg/kg
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesSynergist (non-specific).
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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