![2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol structure](/static/products/5369/536983-08-1.webp)
2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol (CAS 536983-08-1) is a chemical compound with molecular formula C21H18ClN5OS and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 2-((2-chlorobenzyl)thio)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-9-(PYRIDIN-3-YL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE
| Molecular Formula | C21H18ClN5OS |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.6408 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.09207 |
| Heavy Atoms | 29 |
| Complexity | 1111.269 |
Chemical Identifiers
| CAS Number | 536983-08-1 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4Cl)N2)C5=CN=CC=C5)C(=O)C1 |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol (CAS 536983-08-1), with molecular formula C21H18ClN5OS and molecular weight 423.09 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
The XLogP value of 4.6408 indicates that 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol 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-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol is 536983-08-1.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol is C21H18ClN5OS.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol is 423.09 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)sulfanyl]-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.