Basic information
- CAS
70991-61-6- Standard SMILES
Cc1ccsc1-c1ccc(C(C)C(=O)O)cc1- InChIKey
DTOPKPBTCXKNFF-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
Names & identifiers
- Preferred name
- Mtppa
- IUPAC
- 2-[4-(3-methylthiophen-2-yl)phenyl]propanoic acid
- English name
- MTPPA
- Molecular formula
- C14H14O2S
- Molecular weight
- 246.32
Names & synonyms
MTPPA70991-61-62-[4-(3-METHYLTHIOPHEN-2-YL)PHENYL]PROPANOIC ACIDBenzeneacetic acid, a-methyl-4-(3-methyl-2-thienyl)-,(aR)-2-(4-(3-Methylthiophen-2-yl)phenyl)propanoic acidorb1707895SCHEMBL42768942-(4-(3-METHYL-2-THIENYL)PHENYL)PROPANOIC ACIDDTOPKPBTCXKNFF-UHFFFAOYSA-NAKOS040740854CS-6834DA-75796
Show more names
M 5011MTPPA, 10 mM in DMSOBenzeneacetic acid, α-methyl-4-(3-methyl-2-thienyl)-
TS-07939HY-101670NS00116603T13784
Database identifiers
- CAS
70991-61-6- Nikkaji
- J644.924G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 379.5 · 379.5±30.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 4.35 · 4.35±0.10(Predicted)
Chemistry & industry
Pharmacology
Metabolism/Metabolites
S-2-[4-(3-methyl-2-thienyl)phenyl]propionic acid has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-[4-(3-methylthiophen-2-yl)phenyl]propanoyloxy]oxane-2-carboxylic acid and 2-[2-[4-(3-methylthiophen-2-yl)phenyl]propanoyloxyamino]ethanesulfonic acid.
Applications
UsesMTPPA is a agent for treating symptoms of inflammation and pain.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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