7,7-Dichloro-2-azepanone
TL;DR: 7,7-Dichloro-2-azepanone (CAS 89641-83-8) is a chemical compound with molecular formula C6H9Cl2NO and molecular weight 181.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dichloroazepan-2-one
Also Known As: 7,7-dichloro-2-azepanone, 7,7-dichloroazepan-2-one, 7,7-Dichlorohexahydro-2H-azepin-2-one, AE-562/12222889
| Molecular Formula | C6H9Cl2NO |
|---|---|
| Molecular Weight | 181.01 g/mol |
| LogP | 1.808 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.00612 |
| Heavy Atoms | 10 |
| Complexity | 146.68324 |
Chemical Identifiers
| CAS Number | 89641-83-8 |
|---|---|
| SMILES | C1CCC(NC(=O)C1)(Cl)Cl |
Product Overview
7,7-Dichloro-2-azepanone (CAS 89641-83-8), with molecular formula C6H9Cl2NO and molecular weight 181.01 g/mol. IUPAC: 7,7-dichloroazepan-2-one.
Chemical Property Profile of 7,7-Dichloro-2-azepanone
Property Insights of 7,7-Dichloro-2-azepanone
The XLogP value of 1.808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-Dichloro-2-azepanone. With a topological polar surface area (TPSA) of 29.1 Ų, 7,7-Dichloro-2-azepanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-Dichloro-2-azepanone has 1 hydrogen bond donor(s) and 1 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 7,7-Dichloro-2-azepanone?
The CAS number of 7,7-Dichloro-2-azepanone is 89641-83-8.
What is the molecular formula of 7,7-Dichloro-2-azepanone?
The molecular formula of 7,7-Dichloro-2-azepanone is C6H9Cl2NO.
What is the molecular weight of 7,7-Dichloro-2-azepanone?
The molecular weight of 7,7-Dichloro-2-azepanone is 181.01 g/mol.
Where can I buy 7,7-Dichloro-2-azepanone?
You can request a quote for 7,7-Dichloro-2-azepanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-Dichloro-2-azepanone?
Yes, KEHONG BIO provides custom synthesis services for 7,7-Dichloro-2-azepanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.