![1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one structure](/static/products/7902/790270-76-7.webp)
1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one
TL;DR: 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one (CAS 790270-76-7) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]azepan-2-one
Also Known As: 1-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one, 1-[(5-mercapto-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one, 1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]azepan-2-one, 1-((5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl)azepan-2-one, 899-769-0
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.63479 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 398.06177 |
Chemical Identifiers
| CAS Number | 790270-76-7 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)CC2=NNC(=S)O2 |
Product Overview
1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one (CAS 790270-76-7), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: 1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]azepan-2-one.
Chemical Property Profile of 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one
Property Insights of 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one
The XLogP value of 1.63479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one. Following Lipinski's Rule of Five, 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-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 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one?
The CAS number of 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one is 790270-76-7.
What is the molecular formula of 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one?
The molecular formula of 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one is C9H13N3O2S.
What is the molecular weight of 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one?
The molecular weight of 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one is 227.07 g/mol.
Where can I buy 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one?
You can request a quote for 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.