RefChem:448164
TL;DR: RefChem:448164 (CAS 852388-81-9) is a chemical compound with molecular formula C9H5F3N2O3S and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]acetic acid
Also Known As: 2-((3-Cyano-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridin-2-yl)thio)acetic acid, 2-{[3-cyano-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridin-2-yl]sulfanyl}acetic acid, {[3-cyano-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridin-2-yl]thio}acetic acid, 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]acetic Acid, [[3-CYANO-6-OXO-4-(TRIFLUOROMETHYL)-1,6-DIHYDROPYRIDIN-2-YL]THIO]ACETIC ACID
| Molecular Formula | C9H5F3N2O3S |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 1.44208 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.99728 |
| Heavy Atoms | 18 |
| Complexity | 573.8913 |
Chemical Identifiers
| CAS Number | 852388-81-9 |
|---|---|
| SMILES | C1=C(C(=C(NC1=O)SCC(=O)O)C#N)C(F)(F)F |
Product Overview
RefChem:448164 (CAS 852388-81-9), with molecular formula C9H5F3N2O3S and molecular weight 278.00 g/mol. IUPAC: 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of RefChem:448164
Property Insights of RefChem:448164
The XLogP value of 1.44208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:448164. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448164. Following Lipinski's Rule of Five, RefChem:448164 has 2 hydrogen bond donor(s) and 4 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 RefChem:448164?
The CAS number of RefChem:448164 is 852388-81-9.
What is the molecular formula of RefChem:448164?
The molecular formula of RefChem:448164 is C9H5F3N2O3S.
What is the molecular weight of RefChem:448164?
The molecular weight of RefChem:448164 is 278.00 g/mol.
Where can I buy RefChem:448164?
You can request a quote for RefChem:448164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448164?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.