ChemDiv1_007381
TL;DR: ChemDiv1_007381 (CAS 395666-98-5) is a chemical compound with molecular formula C23H26N4OS and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
Also Known As: ChemDiv1_007381, 2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone, 2,2,4-trimethyl-1-{[(1-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl}-4-phenyl-1,2,3,4-tetrahydroquinoline, 2-((1-methyl-1H-1,2,4-triazol-3-yl)thio)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone, 2-(1-methyl(1,2,4-triazol-3-ylthio))-1-(2,2,4-trimethyl-4-phenyl(1,2,3,4-tetra hydroquinolyl))ethan-1-one
| Molecular Formula | C23H26N4OS |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 4.4287 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.18274 |
| Heavy Atoms | 29 |
| Complexity | 1030.1218 |
Chemical Identifiers
| CAS Number | 395666-98-5 |
|---|---|
| SMILES | CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN(C=N3)C)(C)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_007381 (CAS 395666-98-5), with molecular formula C23H26N4OS and molecular weight 406.18 g/mol. IUPAC: 2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
Chemical Property Profile of ChemDiv1_007381
Property Insights of ChemDiv1_007381
The XLogP value of 4.4287 indicates that ChemDiv1_007381 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, ChemDiv1_007381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007381 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_007381?
The CAS number of ChemDiv1_007381 is 395666-98-5.
What is the molecular formula of ChemDiv1_007381?
The molecular formula of ChemDiv1_007381 is C23H26N4OS.
What is the molecular weight of ChemDiv1_007381?
The molecular weight of ChemDiv1_007381 is 406.18 g/mol.
Where can I buy ChemDiv1_007381?
You can request a quote for ChemDiv1_007381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007381?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.