![1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone structure](/static/products/4121/41216-96-0.webp)
1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone
TL;DR: 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone (CAS 41216-96-0) is a chemical compound with molecular formula C16H12ClNO and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzo[b][1]benzazepin-11-yl-2-chloroethanone
Also Known As: ZERO/005057, 5-chloroacetyl-5h-dibenz[b,f]azepine, 5-(Chloroacetyl)-5H-dibenzo[b,f]azepine, 1-benzo[b][1]benzazepin-11-yl-2-chloroethanone, 2-chloro-1-dibenzo[b,f]azepin-5-ylethan-1-one
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 41216-96-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)CCl |
| InChIKey | KRNSRCBAMKWWLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone (CAS 41216-96-0), with molecular formula C16H12ClNO and molecular weight 269.06 g/mol. IUPAC: 1-benzo[b][1]benzazepin-11-yl-2-chloroethanone.
Chemical Property Profile of 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone
Property Insights of 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone
The XLogP value of 3.6 indicates that 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone has 0 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 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone?
The CAS number of 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone is 41216-96-0.
What is the molecular formula of 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone?
The molecular formula of 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone is C16H12ClNO.
What is the molecular weight of 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone?
The molecular weight of 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone is 269.06 g/mol.
Where can I buy 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone?
You can request a quote for 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzo[b][1]benzazepin-11-yl-2-chloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.