![3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid structure](/static/products/863/863667-96-3.png)
3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid
TL;DR: 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid (CAS 863667-96-3) is a chemical compound with molecular formula C9H8F2O2S and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-difluorophenyl)sulfanylpropanoic acid
Also Known As: 3-[(3,4-difluorophenyl)sulfanyl]propanoic acid, 3-[(3,4-difluorophenyl)thio]propanoic acid, 3-(3,4-difluorophenyl)sulfanylpropanoic Acid, 3-(3,4-difluorophenylthio)propanoic acid, 3-[(3,4-difluorophenyl)sulfanyl]propanoicacid
| Molecular Formula | C9H8F2O2S |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.5316 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0213 |
| Heavy Atoms | 14 |
| Complexity | 341.5839 |
Chemical Identifiers
| CAS Number | 863667-96-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1SCCC(=O)O)F)F |
Product Overview
3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid (CAS 863667-96-3), with molecular formula C9H8F2O2S and molecular weight 218.02 g/mol. IUPAC: 3-(3,4-difluorophenyl)sulfanylpropanoic acid.
Chemical Property Profile of 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid
Property Insights of 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid
The XLogP value of 2.5316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-Difluorophenyl)sulfanyl]propanoic 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 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid?
The CAS number of 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid is 863667-96-3.
What is the molecular formula of 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid?
The molecular formula of 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid is C9H8F2O2S.
What is the molecular weight of 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid?
The molecular weight of 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid is 218.02 g/mol.
Where can I buy 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid?
You can request a quote for 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-Difluorophenyl)sulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.