![2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one structure](/static/products/7778/777867-32-0.webp)
2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one (CAS 777867-32-0) is a chemical compound with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one, 2-((2-chlorobenzyl)thio)-6-phenyl-6,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-[(2-chlorophenyl)methylthio]-6-phenyl-5,6,7,10-tetrahydro-1,2,4-triazolo[5,1 -b]quinazolin-8-one, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-6-PHENYL-5H,6H,7H,8H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE
| Molecular Formula | C22H17ClN4OS |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 4.9827 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.08115 |
| Heavy Atoms | 29 |
| Complexity | 1208.1493 |
Chemical Identifiers
| CAS Number | 777867-32-0 |
|---|---|
| SMILES | C1C(CC(=O)C2=CN3C(=NC(=N3)SCC4=CC=CC=C4Cl)N=C21)C5=CC=CC=C5 |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one (CAS 777867-32-0), with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
The XLogP value of 4.9827 indicates that 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one has 0 hydrogen bond donor(s) and 5 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]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one is 777867-32-0.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one is C22H17ClN4OS.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one is 420.08 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one 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]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.