1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane
TL;DR: 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane (CAS 457961-68-1) is a chemical compound with molecular formula C13H17Cl2NO3S and molecular weight 337.0306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichloro-2-methoxyphenyl)sulfonylazepane
Also Known As: 1-(3,4-dichloro-2-methoxybenzenesulfonyl)azepane, 1-(3,4-dichloro-2-methoxyphenyl)sulfonylazepane, BAS 02106810, AP-263/40720508, 1-(3,4-Dichloro-2-methoxy-benzenesulfonyl)-azepane
Technical Specifications
| Molecular Formula | C13H17Cl2NO3S |
| Molecular Weight | 337.0306 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0306 Da |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
| SMILES | COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)N2CCCCCC2 |
| InChIKey | IKVJUBZHNCFIOV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane
Property Insights of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane
The XLogP value of 3.5 indicates that 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)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
What is the CAS number of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane?
The CAS number of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane is 457961-68-1.
What is the molecular formula of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane?
The molecular formula of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane is C13H17Cl2NO3S.
What is the molecular weight of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane?
The molecular weight of 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane is 337.0306 g/mol.
Where can I buy 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane?
You can request a quote for 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Dichloro-2-methoxybenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.