3-Phenyl-2-thiophen-2-ylpropanoic acid
TL;DR: 3-Phenyl-2-thiophen-2-ylpropanoic acid (CAS 91902-78-2) is a chemical compound with molecular formula C13H12O2S and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-thiophen-2-ylpropanoic acid
Also Known As: 3-phenyl-2-thiophen-2-ylpropanoic acid, 3-phenyl-2-(thiophen-2-yl)propanoic acid, 6-Methyl-[1]naphthoesaeure-methylester
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 91902-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C2=CC=CS2)C(=O)O |
| InChIKey | DDSSZBSJRNFOJW-UHFFFAOYSA-N |
Product Overview
3-Phenyl-2-thiophen-2-ylpropanoic acid (CAS 91902-78-2), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: 3-phenyl-2-thiophen-2-ylpropanoic acid.
Chemical Property Profile of 3-Phenyl-2-thiophen-2-ylpropanoic acid
Property Insights of 3-Phenyl-2-thiophen-2-ylpropanoic acid
The XLogP value of 3.1 indicates that 3-Phenyl-2-thiophen-2-ylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-2-thiophen-2-ylpropanoic acid. Following Lipinski's Rule of Five, 3-Phenyl-2-thiophen-2-ylpropanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenyl-2-thiophen-2-ylpropanoic acid?
The CAS number of 3-Phenyl-2-thiophen-2-ylpropanoic acid is 91902-78-2.
What is the molecular formula of 3-Phenyl-2-thiophen-2-ylpropanoic acid?
The molecular formula of 3-Phenyl-2-thiophen-2-ylpropanoic acid is C13H12O2S.
What is the molecular weight of 3-Phenyl-2-thiophen-2-ylpropanoic acid?
The molecular weight of 3-Phenyl-2-thiophen-2-ylpropanoic acid is 232.06 g/mol.
Where can I buy 3-Phenyl-2-thiophen-2-ylpropanoic acid?
You can request a quote for 3-Phenyl-2-thiophen-2-ylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-thiophen-2-ylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-thiophen-2-ylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.