((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid
TL;DR: ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid (CAS 387350-44-9) is a chemical compound with molecular formula C8H6F3NO2S and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetic acid
Also Known As: 2-chloro-9H-purine, Peakdale1_000814, 2-{[4-(Trifluoromethyl)pyridin-3-yl]thio}-acetic acid, 2-[4-(trifluoromethyl)pyridin-3-ylthio]acetic acid, 2246AE
| Molecular Formula | C8H6F3NO2S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 2.2771 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.00714 |
| Heavy Atoms | 15 |
| Complexity | 367.14957 |
Chemical Identifiers
| CAS Number | 387350-44-9 |
|---|---|
| SMILES | C1=CN=CC(=C1C(F)(F)F)SCC(=O)O |
Product Overview
((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid (CAS 387350-44-9), with molecular formula C8H6F3NO2S and molecular weight 237.01 g/mol. IUPAC: 2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid
Property Insights of ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid
The XLogP value of 2.2771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid. With a topological polar surface area (TPSA) of 50.19 Ų, ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid has 1 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 ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid?
The CAS number of ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid is 387350-44-9.
What is the molecular formula of ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid?
The molecular formula of ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid is C8H6F3NO2S.
What is the molecular weight of ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid?
The molecular weight of ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid is 237.01 g/mol.
Where can I buy ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid?
You can request a quote for ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.