1-(2-Methyl-5-nitrophenyl)sulfonylazepane
TL;DR: 1-(2-Methyl-5-nitrophenyl)sulfonylazepane (CAS 682786-38-5) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-5-nitrophenyl)sulfonylazepane
Also Known As: 1-(2-methyl-5-nitrophenyl)sulfonylazepane, 1-((2-methyl-5-nitrophenyl)sulfonyl)azepane, 1-(2-METHYL-5-NITROBENZENESULFONYL)AZEPANE, VU0488933-1, 2-(azaperhydroepinylsulfonyl)-1-methyl-4-nitrobenzene
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.46792 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 604.79724 |
Chemical Identifiers
| CAS Number | 682786-38-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCCC2 |
Product Overview
1-(2-Methyl-5-nitrophenyl)sulfonylazepane (CAS 682786-38-5), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: 1-(2-methyl-5-nitrophenyl)sulfonylazepane.
Chemical Property Profile of 1-(2-Methyl-5-nitrophenyl)sulfonylazepane
Property Insights of 1-(2-Methyl-5-nitrophenyl)sulfonylazepane
The XLogP value of 2.46792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-5-nitrophenyl)sulfonylazepane. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-5-nitrophenyl)sulfonylazepane. Following Lipinski's Rule of Five, 1-(2-Methyl-5-nitrophenyl)sulfonylazepane 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-(2-Methyl-5-nitrophenyl)sulfonylazepane?
The CAS number of 1-(2-Methyl-5-nitrophenyl)sulfonylazepane is 682786-38-5.
What is the molecular formula of 1-(2-Methyl-5-nitrophenyl)sulfonylazepane?
The molecular formula of 1-(2-Methyl-5-nitrophenyl)sulfonylazepane is C13H18N2O4S.
What is the molecular weight of 1-(2-Methyl-5-nitrophenyl)sulfonylazepane?
The molecular weight of 1-(2-Methyl-5-nitrophenyl)sulfonylazepane is 298.10 g/mol.
Where can I buy 1-(2-Methyl-5-nitrophenyl)sulfonylazepane?
You can request a quote for 1-(2-Methyl-5-nitrophenyl)sulfonylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-5-nitrophenyl)sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-5-nitrophenyl)sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.