ChemDiv1_008689
TL;DR: ChemDiv1_008689 (CAS 314260-30-5) is a chemical compound with molecular formula C20H15F3N4OS and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv1_008689, AB00721216-01, AF-399/15031003, 2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, F0863-0337
| Molecular Formula | C20H15F3N4OS |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 4.94052 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.09186 |
| Heavy Atoms | 29 |
| Complexity | 1219.5233 |
Chemical Identifiers
| CAS Number | 314260-30-5 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
ChemDiv1_008689 (CAS 314260-30-5), with molecular formula C20H15F3N4OS and molecular weight 416.09 g/mol. IUPAC: 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_008689
Property Insights of ChemDiv1_008689
The XLogP value of 4.94052 indicates that ChemDiv1_008689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, ChemDiv1_008689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008689 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_008689?
The CAS number of ChemDiv1_008689 is 314260-30-5.
What is the molecular formula of ChemDiv1_008689?
The molecular formula of ChemDiv1_008689 is C20H15F3N4OS.
What is the molecular weight of ChemDiv1_008689?
The molecular weight of ChemDiv1_008689 is 416.09 g/mol.
Where can I buy ChemDiv1_008689?
You can request a quote for ChemDiv1_008689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008689?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.