![(2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid structure](/static/products/161/16174-91-7.png)
(2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid
TL;DR: (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid (CAS 16174-91-7) is a chemical compound with molecular formula C15H11F3O2S and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid
Also Known As: AE-641/30104009, (2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid, 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid
| Molecular Formula | C15H11F3O2S |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 4.4837 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.04318 |
| Heavy Atoms | 21 |
| Complexity | 653.3621 |
Chemical Identifiers
| CAS Number | 16174-91-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)SC2=CC=CC(=C2)C(F)(F)F |
Product Overview
(2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid (CAS 16174-91-7), with molecular formula C15H11F3O2S and molecular weight 312.04 g/mol. IUPAC: 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid.
Chemical Property Profile of (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid
Property Insights of (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid
The XLogP value of 4.4837 indicates that (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic 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-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)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-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid?
The CAS number of (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid is 16174-91-7.
What is the molecular formula of (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid?
The molecular formula of (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid is C15H11F3O2S.
What is the molecular weight of (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid?
The molecular weight of (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid is 312.04 g/mol.
Where can I buy (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid?
You can request a quote for (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)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-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-{[3-(Trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.