(E,Z)-Darenzepine
TL;DR: (E,Z)-Darenzepine (CAS 84629-61-8) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-(4-methylpiperazin-1-yl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one
Also Known As: Darenzepine, (E,Z)-Darenzepine, 11-[2-(4-Methylpiperazin-1-yl)-2-oxoethylidene]-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 2.458 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 895.63416 |
Chemical Identifiers
| CAS Number | 84629-61-8 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C=C2C3=CC=CC=C3C(=O)NC4=CC=CC=C42 |
Product Overview
(E,Z)-Darenzepine (CAS 84629-61-8), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 11-[2-(4-methylpiperazin-1-yl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one.
Chemical Property Profile of (E,Z)-Darenzepine
Property Insights of (E,Z)-Darenzepine
The XLogP value of 2.458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E,Z)-Darenzepine. With a topological polar surface area (TPSA) of 52.65 Ų, (E,Z)-Darenzepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E,Z)-Darenzepine has 1 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 (E,Z)-Darenzepine?
The CAS number of (E,Z)-Darenzepine is 84629-61-8.
What is the molecular formula of (E,Z)-Darenzepine?
The molecular formula of (E,Z)-Darenzepine is C21H21N3O2.
What is the molecular weight of (E,Z)-Darenzepine?
The molecular weight of (E,Z)-Darenzepine is 347.16 g/mol.
Where can I buy (E,Z)-Darenzepine?
You can request a quote for (E,Z)-Darenzepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E,Z)-Darenzepine?
Yes, KEHONG BIO provides custom synthesis services for (E,Z)-Darenzepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.