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5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine
TL;DR: 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS 19054-67-2) is a chemical compound with molecular formula C17H16ClNO and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
Also Known As: 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine, 3-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one, J1.626.407E, 3-CHLORO-1-(10,11-DIHYDRO-DIBENZO[B,F]AZEPIN-5-YL)-PROPAN-1-ONE, 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzob,fazepine
| Molecular Formula | C17H16ClNO |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.09204 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 19054-67-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCCl |
| InChIKey | CBHZSZTVGIGNRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS 19054-67-2), with molecular formula C17H16ClNO and molecular weight 285.09 g/mol. IUPAC: 3-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one.
Chemical Property Profile of 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine
Property Insights of 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine
The XLogP value of 3.7 indicates that 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine 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 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine?
The CAS number of 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine is 19054-67-2.
What is the molecular formula of 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine?
The molecular formula of 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine is C17H16ClNO.
What is the molecular weight of 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine?
The molecular weight of 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine is 285.09 g/mol.
Where can I buy 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine?
You can request a quote for 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.