3-Chloroazepan-2-one
TL;DR: 3-Chloroazepan-2-one (CAS 1468-55-9) is a chemical compound with molecular formula C6H10ClNO and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroazepan-2-one
Also Known As: 3-chloroazepan-2-one, alpha-chlorocaprolactam, alpha-chloro-epsilon-caprolactam, 3-chloro-hexahydro-azepin-2-one, 2H-AZEPIN-2-ONE,3-CHLOROHEXAHYDRO-
| Molecular Formula | C6H10ClNO |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.04509 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 1468-55-9 |
|---|---|
| SMILES | C1CCNC(=O)C(C1)Cl |
| InChIKey | NDXGCVGKTPQXFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroazepan-2-one (CAS 1468-55-9), with molecular formula C6H10ClNO and molecular weight 147.05 g/mol. IUPAC: 3-chloroazepan-2-one.
Chemical Property Profile of 3-Chloroazepan-2-one
Property Insights of 3-Chloroazepan-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloroazepan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Chloroazepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroazepan-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-Chloroazepan-2-one?
The CAS number of 3-Chloroazepan-2-one is 1468-55-9.
What is the molecular formula of 3-Chloroazepan-2-one?
The molecular formula of 3-Chloroazepan-2-one is C6H10ClNO.
What is the molecular weight of 3-Chloroazepan-2-one?
The molecular weight of 3-Chloroazepan-2-one is 147.05 g/mol.
Where can I buy 3-Chloroazepan-2-one?
You can request a quote for 3-Chloroazepan-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-Chloroazepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroazepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.