1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane
TL;DR: 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane (CAS 898646-82-7) is a chemical compound with molecular formula C17H27NO4S and molecular weight 341.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-diethoxy-4-methylphenyl)sulfonylazepane
Also Known As: 1-(2,5-diethoxy-4-methylbenzenesulfonyl)azepane, 1-(2,5-diethoxy-4-methylphenyl)sulfonylazepane, VU0493061-1, 1-((2,5-diethoxy-4-methylphenyl)sulfonyl)azepane, 1-[(2,5-diethoxy-4-methylphenyl)sulfonyl]azepane
| Molecular Formula | C17H27NO4S |
|---|---|
| Molecular Weight | 341.17 g/mol |
| LogP | 3.35712 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.16608 |
| Heavy Atoms | 23 |
| Complexity | 619.7257 |
Chemical Identifiers
| CAS Number | 898646-82-7 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CCCCCC2 |
Product Overview
1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane (CAS 898646-82-7), with molecular formula C17H27NO4S and molecular weight 341.17 g/mol. IUPAC: 1-(2,5-diethoxy-4-methylphenyl)sulfonylazepane.
Chemical Property Profile of 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane
Property Insights of 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane
The XLogP value of 3.35712 indicates that 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)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-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane?
The CAS number of 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane is 898646-82-7.
What is the molecular formula of 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane?
The molecular formula of 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane is C17H27NO4S.
What is the molecular weight of 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane?
The molecular weight of 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane is 341.17 g/mol.
Where can I buy 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane?
You can request a quote for 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Diethoxy-4-methylbenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.