![(Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one structure](/static/products/116/1164523-62-9.png)
(Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
TL;DR: (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 1164523-62-9) is a chemical compound with molecular formula C13H12ClN5OS and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(Z)-3-chlorobut-2-enyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-Amino-1-((Z)-3-chloro-but-2-enylsulfanyl)-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-amino-1-[(Z)-3-chlorobut-2-enyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
| Molecular Formula | C13H12ClN5OS |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0451 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 1164523-62-9 |
|---|---|
| SMILES | C/C(=C/CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2N)/Cl |
| InChIKey | YQXAMWKJCUVOPF-VURMDHGXSA-N |
Product Overview
(Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 1164523-62-9), with molecular formula C13H12ClN5OS and molecular weight 321.05 g/mol. IUPAC: 4-amino-1-[(Z)-3-chlorobut-2-enyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Property Insights of (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one. Following Lipinski's Rule of Five, (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one has 1 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 (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The CAS number of (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 1164523-62-9.
What is the molecular formula of (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular formula of (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is C13H12ClN5OS.
What is the molecular weight of (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular weight of (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 321.05 g/mol.
Where can I buy (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
You can request a quote for (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-amino-1-((3-chlorobut-2-en-1-yl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.