3,3-Dibromoazepan-2-one
TL;DR: 3,3-Dibromoazepan-2-one (CAS 5743-31-7) is a chemical compound with molecular formula C6H9Br2NO and molecular weight 268.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dibromoazepan-2-one
Also Known As: 3,3-dibromoazepan-2-one, 3,3-Dibromo-azepan-2-one, 3,3-Dibromo-2-azepanone, 3,3-Dibromo-2-oxoperhydroazepine, 3,3-dibromoperhydroazepin-2-one
| Molecular Formula | C6H9Br2NO |
|---|---|
| Molecular Weight | 268.91 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.9051 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 5743-31-7 |
|---|---|
| SMILES | C1CCNC(=O)C(C1)(Br)Br |
| InChIKey | KJIRIIANVAJNNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dibromoazepan-2-one (CAS 5743-31-7), with molecular formula C6H9Br2NO and molecular weight 268.91 g/mol. IUPAC: 3,3-dibromoazepan-2-one.
Chemical Property Profile of 3,3-Dibromoazepan-2-one
Property Insights of 3,3-Dibromoazepan-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dibromoazepan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-Dibromoazepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dibromoazepan-2-one 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 3,3-Dibromoazepan-2-one?
The CAS number of 3,3-Dibromoazepan-2-one is 5743-31-7.
What is the molecular formula of 3,3-Dibromoazepan-2-one?
The molecular formula of 3,3-Dibromoazepan-2-one is C6H9Br2NO.
What is the molecular weight of 3,3-Dibromoazepan-2-one?
The molecular weight of 3,3-Dibromoazepan-2-one is 268.91 g/mol.
Where can I buy 3,3-Dibromoazepan-2-one?
You can request a quote for 3,3-Dibromoazepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dibromoazepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dibromoazepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.