ChemDiv1_010017
TL;DR: ChemDiv1_010017 (CAS 333326-11-7) is a chemical compound with molecular formula C17H20N4OS and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone
Also Known As: ChemDiv1_010017, BAS 02232915, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone, 2-(4-methyl(1,2,4-triazol-3-ylthio))-1-(2,2,4-trimethyl(1,2-dihydroquinolyl))e than-1-one, 2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-2H-quinolin-1-yl)-ethanone
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 333326-11-7 |
|---|---|
| SMILES | CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=CN3C)(C)C |
| InChIKey | WRXCHSCIITVFRJ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_010017 (CAS 333326-11-7), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone.
Chemical Property Profile of ChemDiv1_010017
Property Insights of ChemDiv1_010017
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010017. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010017. Following Lipinski's Rule of Five, ChemDiv1_010017 has 0 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_010017?
The CAS number of ChemDiv1_010017 is 333326-11-7.
What is the molecular formula of ChemDiv1_010017?
The molecular formula of ChemDiv1_010017 is C17H20N4OS.
What is the molecular weight of ChemDiv1_010017?
The molecular weight of ChemDiv1_010017 is 328.14 g/mol.
Where can I buy ChemDiv1_010017?
You can request a quote for ChemDiv1_010017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010017?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.