2-((3,4-Difluorophenyl)sulfanyl)acetic acid
TL;DR: 2-((3,4-Difluorophenyl)sulfanyl)acetic acid (CAS 1049693-70-0) is a chemical compound with molecular formula C8H6F2O2S and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-difluorophenyl)sulfanylacetic acid
Also Known As: [(3,4-difluorophenyl)thio]acetic acid|2-[(3,4-difluorophenyl)sulfanyl]acetic acid|2-(3,4-difluorophenyl)sulfanylacetic Acid|3,4-Difluoro-phenylthioacetic acid|NCGC00337833-01|2-[(3,4-Difluorophenyl)thio]acetic Acid|2-((3,4-Difluorophenyl)sulfanyl)acetic acid|872-725-8|RefChem:447953|MFCD07339314|EN300-14239
| Molecular Formula | C8H6F2O2S |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.1415 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.00566 |
| Heavy Atoms | 13 |
| Complexity | 327.9201 |
Chemical Identifiers
| CAS Number | 1049693-70-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1SCC(=O)O)F)F |
Product Overview
2-((3,4-Difluorophenyl)sulfanyl)acetic acid (CAS 1049693-70-0), with molecular formula C8H6F2O2S and molecular weight 204.01 g/mol. IUPAC: 2-(3,4-difluorophenyl)sulfanylacetic acid.
Chemical Property Profile of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid
Property Insights of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid
The XLogP value of 2.1415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-((3,4-Difluorophenyl)sulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3,4-Difluorophenyl)sulfanyl)acetic 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-((3,4-Difluorophenyl)sulfanyl)acetic acid?
The CAS number of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid is 1049693-70-0.
What is the molecular formula of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
The molecular formula of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid is C8H6F2O2S.
What is the molecular weight of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
The molecular weight of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid is 204.01 g/mol.
Where can I buy 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
You can request a quote for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.