ChemDiv1_017783
TL;DR: ChemDiv1_017783 (CAS 339580-31-3) is a chemical compound with molecular formula C18H16F3N3OS and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv1_017783, A0509/0023618, 2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H16F3N3OS |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 4.62814 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09662 |
| Heavy Atoms | 26 |
| Complexity | 888.47076 |
Chemical Identifiers
| CAS Number | 339580-31-3 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C |
Product Overview
ChemDiv1_017783 (CAS 339580-31-3), with molecular formula C18H16F3N3OS and molecular weight 379.10 g/mol. IUPAC: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_017783
Property Insights of ChemDiv1_017783
The XLogP value of 4.62814 indicates that ChemDiv1_017783 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 ChemDiv1_017783. Following Lipinski's Rule of Five, ChemDiv1_017783 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 ChemDiv1_017783?
The CAS number of ChemDiv1_017783 is 339580-31-3.
What is the molecular formula of ChemDiv1_017783?
The molecular formula of ChemDiv1_017783 is C18H16F3N3OS.
What is the molecular weight of ChemDiv1_017783?
The molecular weight of ChemDiv1_017783 is 379.10 g/mol.
Where can I buy ChemDiv1_017783?
You can request a quote for ChemDiv1_017783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017783?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.