![2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide structure](/static/products/5255/525583-16-8.webp)
2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
TL;DR: 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide (CAS 525583-16-8) is a chemical compound with molecular formula C27H24N6O2S and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide, N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide, N-(5-oxo-7-phenyl(6,7,8-trihydroquinazolin-2-yl))-2-(5-phenyl-4-prop-2-enyl(1, 2,4-triazol-3-ylthio))acetamide, N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C27H24N6O2S |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 4.5646 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.16815 |
| Heavy Atoms | 36 |
| Complexity | 1404.5533 |
Chemical Identifiers
| CAS Number | 525583-16-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide (CAS 525583-16-8), with molecular formula C27H24N6O2S and molecular weight 496.17 g/mol. IUPAC: N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Property Insights of 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
The XLogP value of 4.5646 indicates that 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide has 1 hydrogen bond donor(s) and 7 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-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide?
The CAS number of 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide is 525583-16-8.
What is the molecular formula of 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide?
The molecular formula of 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide is C27H24N6O2S.
What is the molecular weight of 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide?
The molecular weight of 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide is 496.17 g/mol.
Where can I buy 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide?
You can request a quote for 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.