1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane
TL;DR: 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane (CAS 459175-44-1) is a chemical compound with molecular formula C14H20BrNO2S and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromo-4,5-dimethylphenyl)sulfonylazepane
Also Known As: 1-(2-bromo-4,5-dimethylphenyl)sulfonylazepane, BAS 02106863, 1-(2-bromo-4,5-dimethylbenzenesulfonyl)azepane, 1-(2-Bromo-4,5-dimethyl-benzenesulfonyl)-azepane, 1-[(2-bromo-4,5-dimethylphenyl)sulfonyl]azepane
| Molecular Formula | C14H20BrNO2S |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 3.63064 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.0398 |
| Heavy Atoms | 19 |
| Complexity | 561.05383 |
Chemical Identifiers
| CAS Number | 459175-44-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Br)S(=O)(=O)N2CCCCCC2 |
Product Overview
1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane (CAS 459175-44-1), with molecular formula C14H20BrNO2S and molecular weight 345.04 g/mol. IUPAC: 1-(2-bromo-4,5-dimethylphenyl)sulfonylazepane.
Chemical Property Profile of 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane
Property Insights of 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane
The XLogP value of 3.63064 indicates that 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane 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-Bromo-4,5-dimethylphenyl)sulfonylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane 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-Bromo-4,5-dimethylphenyl)sulfonylazepane?
The CAS number of 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane is 459175-44-1.
What is the molecular formula of 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane?
The molecular formula of 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane is C14H20BrNO2S.
What is the molecular weight of 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane?
The molecular weight of 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane is 345.04 g/mol.
Where can I buy 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane?
You can request a quote for 1-(2-Bromo-4,5-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-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromo-4,5-dimethylphenyl)sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.