![2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid structure](/static/products/3318/331852-10-9.webp)
2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid
TL;DR: 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid (CAS 331852-10-9) is a chemical compound with molecular formula C16H14O2S and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid
Also Known As: 2-(cinnamylsulfanyl)benzoic acid, 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid, BAS 01259262, 2-[(E)-cinnamyl]sulfanylbenzoic acid, 2-([(2E)-3-Phenylprop-2-en-1-yl]thio)benzoic acid
| Molecular Formula | C16H14O2S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 4.1903 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.07144 |
| Heavy Atoms | 19 |
| Complexity | 576.3126 |
Chemical Identifiers
| CAS Number | 331852-10-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=CC=CC=C2C(=O)O |
Product Overview
2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid (CAS 331852-10-9), with molecular formula C16H14O2S and molecular weight 270.07 g/mol. IUPAC: 2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid
Property Insights of 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid
The XLogP value of 4.1903 indicates that 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid has 1 hydrogen bond donor(s) and 2 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-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid?
The CAS number of 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid is 331852-10-9.
What is the molecular formula of 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid?
The molecular formula of 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid is C16H14O2S.
What is the molecular weight of 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid?
The molecular weight of 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid is 270.07 g/mol.
Where can I buy 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid?
You can request a quote for 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}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-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.