BAS 06900459
TL;DR: BAS 06900459 (CAS 445222-40-2) is a chemical compound with molecular formula C16H11F4N3OS and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: BAS 06900459, 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-{[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide, 2-((3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide
| Molecular Formula | C16H11F4N3OS |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 4.1504 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0559 |
| Heavy Atoms | 25 |
| Complexity | 828.9991 |
Chemical Identifiers
| CAS Number | 445222-40-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C(F)(F)F |
Product Overview
BAS 06900459 (CAS 445222-40-2), with molecular formula C16H11F4N3OS and molecular weight 369.06 g/mol. IUPAC: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of BAS 06900459
Property Insights of BAS 06900459
The XLogP value of 4.1504 indicates that BAS 06900459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900459. Following Lipinski's Rule of Five, BAS 06900459 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 06900459?
The CAS number of BAS 06900459 is 445222-40-2.
What is the molecular formula of BAS 06900459?
The molecular formula of BAS 06900459 is C16H11F4N3OS.
What is the molecular weight of BAS 06900459?
The molecular weight of BAS 06900459 is 369.06 g/mol.
Where can I buy BAS 06900459?
You can request a quote for BAS 06900459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900459?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.