1-(4-chlorobenzoyl)-2-azepanone
TL;DR: 1-(4-chlorobenzoyl)-2-azepanone (CAS 5515-07-1) is a chemical compound with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)azepan-2-one
Also Known As: 1-(4-chlorobenzoyl)-2-azepanone, 1-(4-chlorobenzoyl)azepan-2-one, N-(4-chlorobenzoyl)caprolactam, IFLab1_004159, J2.675.114D
| Molecular Formula | C13H14ClNO2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.0713 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 5515-07-1 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | UPUJOKRFIZDQGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-chlorobenzoyl)-2-azepanone (CAS 5515-07-1), with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol. IUPAC: 1-(4-chlorobenzoyl)azepan-2-one.
Chemical Property Profile of 1-(4-chlorobenzoyl)-2-azepanone
Property Insights of 1-(4-chlorobenzoyl)-2-azepanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzoyl)-2-azepanone. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(4-chlorobenzoyl)-2-azepanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorobenzoyl)-2-azepanone 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-(4-chlorobenzoyl)-2-azepanone?
The CAS number of 1-(4-chlorobenzoyl)-2-azepanone is 5515-07-1.
What is the molecular formula of 1-(4-chlorobenzoyl)-2-azepanone?
The molecular formula of 1-(4-chlorobenzoyl)-2-azepanone is C13H14ClNO2.
What is the molecular weight of 1-(4-chlorobenzoyl)-2-azepanone?
The molecular weight of 1-(4-chlorobenzoyl)-2-azepanone is 251.07 g/mol.
Where can I buy 1-(4-chlorobenzoyl)-2-azepanone?
You can request a quote for 1-(4-chlorobenzoyl)-2-azepanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorobenzoyl)-2-azepanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzoyl)-2-azepanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.