![2-[2-(2-Thienyl)vinyl]benzoic acid structure](/static/products/792/79205-46-2.png)
2-[2-(2-Thienyl)vinyl]benzoic acid
TL;DR: 2-[2-(2-Thienyl)vinyl]benzoic acid (CAS 79205-46-2) is a chemical compound with molecular formula C13H10O2S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-thiophen-2-ylethenyl]benzoic acid
Also Known As: 2-[2-(2-thienyl)vinyl]benzoic acid, 2-(b-(2-Thienyl)vinyl)benzoicacid, 2-(2-thiophen-2-ylethenyl)benzoic acid, Benzoic acid,2-[2-(2-thienyl)ethenyl]-, CDS1_000945
| Molecular Formula | C13H10O2S |
|---|---|
| Molecular Weight | 230.04 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 | 230.04015 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 79205-46-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C2=CC=CS2)C(=O)O |
| InChIKey | ISSJZCAENPGUEW-BQYQJAHWSA-N |
Product Overview
2-[2-(2-Thienyl)vinyl]benzoic acid (CAS 79205-46-2), with molecular formula C13H10O2S and molecular weight 230.04 g/mol. IUPAC: 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid.
Chemical Property Profile of 2-[2-(2-Thienyl)vinyl]benzoic acid
Property Insights of 2-[2-(2-Thienyl)vinyl]benzoic acid
The XLogP value of 3.4 indicates that 2-[2-(2-Thienyl)vinyl]benzoic 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 2-[2-(2-Thienyl)vinyl]benzoic acid. Following Lipinski's Rule of Five, 2-[2-(2-Thienyl)vinyl]benzoic 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 2-[2-(2-Thienyl)vinyl]benzoic acid?
The CAS number of 2-[2-(2-Thienyl)vinyl]benzoic acid is 79205-46-2.
What is the molecular formula of 2-[2-(2-Thienyl)vinyl]benzoic acid?
The molecular formula of 2-[2-(2-Thienyl)vinyl]benzoic acid is C13H10O2S.
What is the molecular weight of 2-[2-(2-Thienyl)vinyl]benzoic acid?
The molecular weight of 2-[2-(2-Thienyl)vinyl]benzoic acid is 230.04 g/mol.
Where can I buy 2-[2-(2-Thienyl)vinyl]benzoic acid?
You can request a quote for 2-[2-(2-Thienyl)vinyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(2-Thienyl)vinyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2-Thienyl)vinyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.