1-(3,4-Dimethylphenyl)sulfonylazepane
TL;DR: 1-(3,4-Dimethylphenyl)sulfonylazepane (CAS 392235-97-1) is a chemical compound with molecular formula C14H21NO2S and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)sulfonylazepane
Also Known As: 1-(3,4-dimethylphenyl)sulfonylazepane, ChemDiv3_001402, 1-[(3,4-dimethylphenyl)sulfonyl]azepane, 1-(3,4-dimethylbenzenesulfonyl)azepane, IDI1_020368
| Molecular Formula | C14H21NO2S |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.1293 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 392235-97-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C |
| InChIKey | HIBGFAJLCLGXCJ-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dimethylphenyl)sulfonylazepane (CAS 392235-97-1), with molecular formula C14H21NO2S and molecular weight 267.13 g/mol. IUPAC: 1-(3,4-dimethylphenyl)sulfonylazepane.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)sulfonylazepane
Property Insights of 1-(3,4-Dimethylphenyl)sulfonylazepane
The XLogP value of 3.0 indicates that 1-(3,4-Dimethylphenyl)sulfonylazepane 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-(3,4-Dimethylphenyl)sulfonylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)sulfonylazepane 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-(3,4-Dimethylphenyl)sulfonylazepane?
The CAS number of 1-(3,4-Dimethylphenyl)sulfonylazepane is 392235-97-1.
What is the molecular formula of 1-(3,4-Dimethylphenyl)sulfonylazepane?
The molecular formula of 1-(3,4-Dimethylphenyl)sulfonylazepane is C14H21NO2S.
What is the molecular weight of 1-(3,4-Dimethylphenyl)sulfonylazepane?
The molecular weight of 1-(3,4-Dimethylphenyl)sulfonylazepane is 267.13 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)sulfonylazepane?
You can request a quote for 1-(3,4-Dimethylphenyl)sulfonylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethylphenyl)sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.