ChemDiv1_005453
TL;DR: ChemDiv1_005453 (CAS 337493-90-0) is a chemical compound with molecular formula C24H28N4OS and molecular weight 420.20 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-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone
Also Known As: ChemDiv1_005453, BAS 01306621, 1-(3,4-Dihydro-2,2,4,6-tetramethyl-4-phenyl-1(2H)-quinolinyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethanone, 2,2,4,6-tetramethyl-1-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}-4-phenyl-1,2,3,4-tetrahydroquinoline, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone
| Molecular Formula | C24H28N4OS |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 4.73712 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.1984 |
| Heavy Atoms | 30 |
| Complexity | 1075.8198 |
Chemical Identifiers
| CAS Number | 337493-90-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(CC2(C)C3=CC=CC=C3)(C)C)C(=O)CSC4=NN=CN4C |
Product Overview
ChemDiv1_005453 (CAS 337493-90-0), with molecular formula C24H28N4OS and molecular weight 420.20 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
Chemical Property Profile of ChemDiv1_005453
Property Insights of ChemDiv1_005453
The XLogP value of 4.73712 indicates that ChemDiv1_005453 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_005453 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005453 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_005453?
The CAS number of ChemDiv1_005453 is 337493-90-0.
What is the molecular formula of ChemDiv1_005453?
The molecular formula of ChemDiv1_005453 is C24H28N4OS.
What is the molecular weight of ChemDiv1_005453?
The molecular weight of ChemDiv1_005453 is 420.20 g/mol.
Where can I buy ChemDiv1_005453?
You can request a quote for ChemDiv1_005453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005453?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.