1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane
TL;DR: 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane (CAS 433971-46-1) is a chemical compound with molecular formula C15H23NO2S and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,5-trimethylphenyl)sulfonylazepane
Also Known As: 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane, 1-(2,4,5-trimethylphenyl)sulfonylazepane, [(2,4,5-trimethylphenyl)sulfonyl]azaperhydroepine
| Molecular Formula | C15H23NO2S |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 3.17656 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.14496 |
| Heavy Atoms | 19 |
| Complexity | 555.7535 |
Chemical Identifiers
| CAS Number | 433971-46-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCCCC2)C |
Product Overview
1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane (CAS 433971-46-1), with molecular formula C15H23NO2S and molecular weight 281.14 g/mol. IUPAC: 1-(2,4,5-trimethylphenyl)sulfonylazepane.
Chemical Property Profile of 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane
Property Insights of 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane
The XLogP value of 3.17656 indicates that 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane has 0 hydrogen bond donor(s) and 2 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-(2,4,5-Trimethyl-benzenesulfonyl)-azepane?
The CAS number of 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane is 433971-46-1.
What is the molecular formula of 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane?
The molecular formula of 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane is C15H23NO2S.
What is the molecular weight of 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane?
The molecular weight of 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane is 281.14 g/mol.
Where can I buy 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane?
You can request a quote for 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,5-Trimethyl-benzenesulfonyl)-azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.