![3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one structure](/static/products/7714/771499-38-8.webp)
3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one
TL;DR: 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one (CAS 771499-38-8) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Also Known As: 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one, 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one, 3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one, 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino2,1-bquinazolin-12-one, 3-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.83549 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 969.5683 |
Chemical Identifiers
| CAS Number | 771499-38-8 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=CC(=C3)C4=NNC(=S)O4)C(=O)N2CC1 |
Product Overview
3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one (CAS 771499-38-8), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
Chemical Property Profile of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one
Property Insights of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one
The XLogP value of 2.83549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one. Following Lipinski's Rule of Five, 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-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 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one?
The CAS number of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one is 771499-38-8.
What is the molecular formula of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one?
The molecular formula of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one is C15H14N4O2S.
What is the molecular weight of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one?
The molecular weight of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one is 314.08 g/mol.
Where can I buy 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one?
You can request a quote for 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.