BAS 06260959
TL;DR: BAS 06260959 (CAS 618074-44-5) is a chemical compound with molecular formula C15H8F4N2O2S and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: BAS 06260959, 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid, {[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid, 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
| Molecular Formula | C15H8F4N2O2S |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 3.95488 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.02426 |
| Heavy Atoms | 24 |
| Complexity | 813.94934 |
Chemical Identifiers
| CAS Number | 618074-44-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O)F |
Product Overview
BAS 06260959 (CAS 618074-44-5), with molecular formula C15H8F4N2O2S and molecular weight 356.02 g/mol. IUPAC: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of BAS 06260959
Property Insights of BAS 06260959
The XLogP value of 3.95488 indicates that BAS 06260959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06260959. Following Lipinski's Rule of Five, BAS 06260959 has 1 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 BAS 06260959?
The CAS number of BAS 06260959 is 618074-44-5.
What is the molecular formula of BAS 06260959?
The molecular formula of BAS 06260959 is C15H8F4N2O2S.
What is the molecular weight of BAS 06260959?
The molecular weight of BAS 06260959 is 356.02 g/mol.
Where can I buy BAS 06260959?
You can request a quote for BAS 06260959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06260959?
Yes, KEHONG BIO provides custom synthesis services for BAS 06260959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.