![2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide structure](/static/products/879/879570-11-3.png)
2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide
TL;DR: 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide (CAS 879570-11-3) is a chemical compound with molecular formula C20H17ClN6O2S and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
Also Known As: 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide, 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide, 2-((1-(2-chlorophenyl)-1H-tetrazol-5-yl)thio)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methylacetamide, 2-[1-(2-chlorophenyl)(1,2,3,4-tetraazol-5-ylthio)]-N-[(2-hydroxy(4-quinolyl))m ethyl]-N-methylacetamide
| Molecular Formula | C20H17ClN6O2S |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 2.9079 |
| Topological Polar Surface Area | 96.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.0822 |
| Heavy Atoms | 30 |
| Complexity | 1271.3842 |
Chemical Identifiers
| CAS Number | 879570-11-3 |
|---|---|
| SMILES | CN(CC1=CC(=O)NC2=CC=CC=C21)C(=O)CSC3=NN=NN3C4=CC=CC=C4Cl |
Product Overview
2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide (CAS 879570-11-3), with molecular formula C20H17ClN6O2S and molecular weight 440.08 g/mol. IUPAC: 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide.
Chemical Property Profile of 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide
Property Insights of 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide
The XLogP value of 2.9079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide. The TPSA of 96.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide. Following Lipinski's Rule of Five, 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide has 1 hydrogen bond donor(s) and 6 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 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide?
The CAS number of 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide is 879570-11-3.
What is the molecular formula of 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide?
The molecular formula of 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide is C20H17ClN6O2S.
What is the molecular weight of 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide?
The molecular weight of 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide is 440.08 g/mol.
Where can I buy 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide?
You can request a quote for 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.