1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane
TL;DR: 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane (CAS 714210-29-4) is a chemical compound with molecular formula C17H27NO3S and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethyl-4-propoxyphenyl)sulfonylazepane
Also Known As: 1-(2,5-dimethyl-4-propoxybenzenesulfonyl)azepane, 1-(2,5-dimethyl-4-propoxyphenyl)sulfonylazepane, [(2,5-dimethyl-4-propoxyphenyl)sulfonyl]azaperhydroepine
| Molecular Formula | C17H27NO3S |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 3.65694 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.17117 |
| Heavy Atoms | 22 |
| Complexity | 602.5752 |
Chemical Identifiers
| CAS Number | 714210-29-4 |
|---|---|
| SMILES | CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCCCCC2)C |
Product Overview
1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane (CAS 714210-29-4), with molecular formula C17H27NO3S and molecular weight 325.17 g/mol. IUPAC: 1-(2,5-dimethyl-4-propoxyphenyl)sulfonylazepane.
Chemical Property Profile of 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane
Property Insights of 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane
The XLogP value of 3.65694 indicates that 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)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-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane?
The CAS number of 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane is 714210-29-4.
What is the molecular formula of 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane?
The molecular formula of 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane is C17H27NO3S.
What is the molecular weight of 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane?
The molecular weight of 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane is 325.17 g/mol.
Where can I buy 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane?
You can request a quote for 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)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-Dimethyl-4-propoxybenzenesulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dimethyl-4-propoxybenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.