ChemDiv1_017661
TL;DR: ChemDiv1_017661 (CAS 340691-36-3) is a chemical compound with molecular formula C16H13F3N4OS and molecular weight 366.08 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-(6-methyl-2-pyridinyl)acetamide
Also Known As: ChemDiv1_017661, A0909/0042642, 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(6-methylpyridin-2-yl)acetamide, 2-[3-cyano-6-methyl-4-(trifluoromethyl)(2-pyridylthio)]-N-(6-methyl(2-pyridyl) )acetamide, 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(6-methylpyridin-2-yl)acetamide
| Molecular Formula | C16H13F3N4OS |
|---|---|
| Molecular Weight | 366.08 g/mol |
| LogP | 3.71472 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.0762 |
| Heavy Atoms | 25 |
| Complexity | 846.2491 |
Chemical Identifiers
| CAS Number | 340691-36-3 |
|---|---|
| SMILES | CC1=NC(=CC=C1)NC(=O)CSC2=NC(=CC(=C2C#N)C(F)(F)F)C |
Product Overview
ChemDiv1_017661 (CAS 340691-36-3), with molecular formula C16H13F3N4OS and molecular weight 366.08 g/mol. IUPAC: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide.
Chemical Property Profile of ChemDiv1_017661
Property Insights of ChemDiv1_017661
The XLogP value of 3.71472 indicates that ChemDiv1_017661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017661. Following Lipinski's Rule of Five, ChemDiv1_017661 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_017661?
The CAS number of ChemDiv1_017661 is 340691-36-3.
What is the molecular formula of ChemDiv1_017661?
The molecular formula of ChemDiv1_017661 is C16H13F3N4OS.
What is the molecular weight of ChemDiv1_017661?
The molecular weight of ChemDiv1_017661 is 366.08 g/mol.
Where can I buy ChemDiv1_017661?
You can request a quote for ChemDiv1_017661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017661?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.