![1-[(3-Nitrophenyl)sulfonyl]azepane structure](/static/products/916/91619-32-8.png)
1-[(3-Nitrophenyl)sulfonyl]azepane
TL;DR: 1-[(3-Nitrophenyl)sulfonyl]azepane (CAS 91619-32-8) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)sulfonylazepane
Also Known As: 1-[(3-nitrophenyl)sulfonyl]azepane, 1-(3-nitrophenyl)sulfonylazepane, 1-(3-Nitrobenzene-1-sulfonyl)azepane, 1-(azaperhydroepinylsulfonyl)-3-nitrobenzene, Hexahydro-1-[(3-nitrophenyl)sulfonyl]-1H-azepine
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.1595 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 562.84705 |
Chemical Identifiers
| CAS Number | 91619-32-8 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
1-[(3-Nitrophenyl)sulfonyl]azepane (CAS 91619-32-8), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: 1-(3-nitrophenyl)sulfonylazepane.
Chemical Property Profile of 1-[(3-Nitrophenyl)sulfonyl]azepane
Property Insights of 1-[(3-Nitrophenyl)sulfonyl]azepane
The XLogP value of 2.1595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Nitrophenyl)sulfonyl]azepane. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Nitrophenyl)sulfonyl]azepane. Following Lipinski's Rule of Five, 1-[(3-Nitrophenyl)sulfonyl]azepane has 0 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-[(3-Nitrophenyl)sulfonyl]azepane?
The CAS number of 1-[(3-Nitrophenyl)sulfonyl]azepane is 91619-32-8.
What is the molecular formula of 1-[(3-Nitrophenyl)sulfonyl]azepane?
The molecular formula of 1-[(3-Nitrophenyl)sulfonyl]azepane is C12H16N2O4S.
What is the molecular weight of 1-[(3-Nitrophenyl)sulfonyl]azepane?
The molecular weight of 1-[(3-Nitrophenyl)sulfonyl]azepane is 284.08 g/mol.
Where can I buy 1-[(3-Nitrophenyl)sulfonyl]azepane?
You can request a quote for 1-[(3-Nitrophenyl)sulfonyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Nitrophenyl)sulfonyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Nitrophenyl)sulfonyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.