![{2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid structure](/static/products/327/327094-87-1.png)
{2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid
TL;DR: {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid (CAS 327094-87-1) is a chemical compound with molecular formula C9H8F3NO2S and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(trifluoromethylsulfanyl)anilino]acetic acid
Also Known As: {2-[(trifluoromethyl)sulfanyl]anilino}acetic acid, 2-[2-(trifluoromethylsulfanyl)anilino]acetic acid, AF-399/25108082, 2-{[2-(trifluoromethylthio)phenyl]amino}acetic acid, 2-({2-[(trifluoromethyl)sulfanyl]phenyl}amino)acetic acid
| Molecular Formula | C9H8F3NO2S |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 2.795 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.02278 |
| Heavy Atoms | 16 |
| Complexity | 381.262 |
Chemical Identifiers
| CAS Number | 327094-87-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCC(=O)O)SC(F)(F)F |
Product Overview
{2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid (CAS 327094-87-1), with molecular formula C9H8F3NO2S and molecular weight 251.02 g/mol. IUPAC: 2-[2-(trifluoromethylsulfanyl)anilino]acetic acid.
Chemical Property Profile of {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid
Property Insights of {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid
The XLogP value of 2.795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid. With a topological polar surface area (TPSA) of 49.33 Ų, {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid has 2 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-[(Trifluoromethyl)sulfanyl]anilino}acetic acid?
The CAS number of {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid is 327094-87-1.
What is the molecular formula of {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid?
The molecular formula of {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid is C9H8F3NO2S.
What is the molecular weight of {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid?
The molecular weight of {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid is 251.02 g/mol.
Where can I buy {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid?
You can request a quote for {2-[(Trifluoromethyl)sulfanyl]anilino}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-[(Trifluoromethyl)sulfanyl]anilino}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {2-[(Trifluoromethyl)sulfanyl]anilino}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.