Dibenzepin
TL;DR: Dibenzepin (CAS 4498-32-2) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one
Also Known As: Dibenzepin, Dibenzepine, Dibenzepina, Dibenzepinum, Alfadolone
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 4498-32-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C |
| InChIKey | QPGGEKPRGVJKQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzepin (CAS 4498-32-2), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of Dibenzepin
Property Insights of Dibenzepin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzepin. With a topological polar surface area (TPSA) of 26.8 Ų, Dibenzepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzepin has 0 hydrogen bond donor(s) and 3 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 Dibenzepin?
The CAS number of Dibenzepin is 4498-32-2.
What is the molecular formula of Dibenzepin?
The molecular formula of Dibenzepin is C18H21N3O.
What is the molecular weight of Dibenzepin?
The molecular weight of Dibenzepin is 295.17 g/mol.
Where can I buy Dibenzepin?
You can request a quote for Dibenzepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzepin?
Yes, KEHONG BIO provides custom synthesis services for Dibenzepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.