ChemDiv1_002331
TL;DR: ChemDiv1_002331 (CAS 313379-71-4) 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-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv1_002331, CBKinase1_008491, CBKinase1_020891, BAS 01107779, BRD-K97376409-001-01-8
| Molecular Formula | C18H16F3N3OS |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 4.5737 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.09662 |
| Heavy Atoms | 26 |
| Complexity | 859.7354 |
Chemical Identifiers
| CAS Number | 313379-71-4 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
ChemDiv1_002331 (CAS 313379-71-4), with molecular formula C18H16F3N3OS and molecular weight 379.10 g/mol. IUPAC: 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_002331
Property Insights of ChemDiv1_002331
The XLogP value of 4.5737 indicates that ChemDiv1_002331 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_002331. Following Lipinski's Rule of Five, ChemDiv1_002331 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_002331?
The CAS number of ChemDiv1_002331 is 313379-71-4.
What is the molecular formula of ChemDiv1_002331?
The molecular formula of ChemDiv1_002331 is C18H16F3N3OS.
What is the molecular weight of ChemDiv1_002331?
The molecular weight of ChemDiv1_002331 is 379.10 g/mol.
Where can I buy ChemDiv1_002331?
You can request a quote for ChemDiv1_002331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002331?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.