1-(4-Cyclohexylbenzenesulfonyl)azepane
TL;DR: 1-(4-Cyclohexylbenzenesulfonyl)azepane (CAS 431891-14-4) is a chemical compound with molecular formula C18H27NO2S and molecular weight 321.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyclohexylphenyl)sulfonylazepane
Also Known As: 1-(4-cyclohexylbenzenesulfonyl)azepane, 1-(4-cyclohexylphenyl)sulfonylazepane, 1-((4-Cyclohexylphenyl)sulfonyl)azepane, [(4-cyclohexylphenyl)sulfonyl]azaperhydroepine
| Molecular Formula | C18H27NO2S |
|---|---|
| Molecular Weight | 321.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.17624 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 431891-14-4 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3 |
| InChIKey | GYSQNQPBVKKPDT-UHFFFAOYSA-N |
Product Overview
1-(4-Cyclohexylbenzenesulfonyl)azepane (CAS 431891-14-4), with molecular formula C18H27NO2S and molecular weight 321.18 g/mol. IUPAC: 1-(4-cyclohexylphenyl)sulfonylazepane.
Chemical Property Profile of 1-(4-Cyclohexylbenzenesulfonyl)azepane
Property Insights of 1-(4-Cyclohexylbenzenesulfonyl)azepane
The XLogP value of 4.8 indicates that 1-(4-Cyclohexylbenzenesulfonyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(4-Cyclohexylbenzenesulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Cyclohexylbenzenesulfonyl)azepane has 0 hydrogen bond donor(s) and 3 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-(4-Cyclohexylbenzenesulfonyl)azepane?
The CAS number of 1-(4-Cyclohexylbenzenesulfonyl)azepane is 431891-14-4.
What is the molecular formula of 1-(4-Cyclohexylbenzenesulfonyl)azepane?
The molecular formula of 1-(4-Cyclohexylbenzenesulfonyl)azepane is C18H27NO2S.
What is the molecular weight of 1-(4-Cyclohexylbenzenesulfonyl)azepane?
The molecular weight of 1-(4-Cyclohexylbenzenesulfonyl)azepane is 321.18 g/mol.
Where can I buy 1-(4-Cyclohexylbenzenesulfonyl)azepane?
You can request a quote for 1-(4-Cyclohexylbenzenesulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Cyclohexylbenzenesulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Cyclohexylbenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.