![[(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid structure](/static/products/7420/742094-79-7.webp)
[(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid
TL;DR: [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid (CAS 742094-79-7) is a chemical compound with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetic acid
Also Known As: [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid|2-((4-Allyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetic acid|2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetic acid|2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetic acid|2-[(4-allyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetic acid|2-[(4-Allyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic Acid|{[5-OXO-4-(PROP-2-EN-1-YL)-[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-1-YL]SULFANYL}ACETIC ACID|2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}aceticacid|MLS001170834|MFCD05261235|SMR000588315|EN300-08877
| Molecular Formula | C14H12N4O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 1.4069 |
| Topological Polar Surface Area | 89.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.06302 |
| Heavy Atoms | 22 |
| Complexity | 944.30176 |
Chemical Identifiers
| CAS Number | 742094-79-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)O |
Product Overview
[(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid (CAS 742094-79-7), with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol. IUPAC: 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid
Property Insights of [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid
The XLogP value of 1.4069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid. The TPSA of 89.49 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid 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 [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid?
The CAS number of [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid is 742094-79-7.
What is the molecular formula of [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid?
The molecular formula of [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid is C14H12N4O3S.
What is the molecular weight of [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid?
The molecular weight of [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid is 316.06 g/mol.
Where can I buy [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid?
You can request a quote for [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-allyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.