3-Benzylthiophene-2-carboxylic acid
TL;DR: 3-Benzylthiophene-2-carboxylic acid (CAS 280571-75-7) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylthiophene-2-carboxylic acid
Also Known As: 3-benzylthiophene-2-carboxylic acid, 3-Benzyl-2-thiophenecarboxylic acid, 3-Benzylthiophen-2-carbonsaeure, 3-benzyl-thiophene-2-carboxylic acid, 2-Thiophenecarboxylicacid, 3-(phenylmethyl)-
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 280571-75-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(SC=C2)C(=O)O |
| InChIKey | UGIIACGASYCKOR-UHFFFAOYSA-N |
Product Overview
3-Benzylthiophene-2-carboxylic acid (CAS 280571-75-7), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: 3-benzylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-Benzylthiophene-2-carboxylic acid
Property Insights of 3-Benzylthiophene-2-carboxylic acid
The XLogP value of 3.4 indicates that 3-Benzylthiophene-2-carboxylic 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-Benzylthiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Benzylthiophene-2-carboxylic 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-Benzylthiophene-2-carboxylic acid?
The CAS number of 3-Benzylthiophene-2-carboxylic acid is 280571-75-7.
What is the molecular formula of 3-Benzylthiophene-2-carboxylic acid?
The molecular formula of 3-Benzylthiophene-2-carboxylic acid is C12H10O2S.
What is the molecular weight of 3-Benzylthiophene-2-carboxylic acid?
The molecular weight of 3-Benzylthiophene-2-carboxylic acid is 218.04 g/mol.
Where can I buy 3-Benzylthiophene-2-carboxylic acid?
You can request a quote for 3-Benzylthiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylthiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylthiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.