![4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one structure](/static/products/7369/736960-50-2.webp)
4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
TL;DR: 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 736960-50-2) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methoxyphenyl)methyl]-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 1-Mercapto-4-(2-methoxy-benzyl)-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-[(2-methoxyphenyl)methyl]-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-[(2-methoxyphenyl)methyl]-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.76369 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 1172.6053 |
Chemical Identifiers
| CAS Number | 736960-50-2 |
|---|---|
| SMILES | COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N4C2=NNC4=S |
Product Overview
4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 736960-50-2), with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol. IUPAC: 4-[(2-methoxyphenyl)methyl]-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Property Insights of 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
The XLogP value of 2.76369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one. Following Lipinski's Rule of Five, 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one has 1 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 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The CAS number of 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 736960-50-2.
What is the molecular formula of 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular formula of 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is C17H14N4O2S.
What is the molecular weight of 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular weight of 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 338.08 g/mol.
Where can I buy 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
You can request a quote for 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-methoxyphenyl)methyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.