Darenzepine
TL;DR: Darenzepine (CAS 90274-22-9) 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.
(11E)-11-[2-(4-methylpiperazin-1-yl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one
Also Known As: Darenzepine, Darenzepinum, Darenzepina, Darenzepine [INN], (E)-1-((5,6-Dihydro-6-oxo-11-morphanthridinylidene)acetyl)-4-methylpiperazine
| 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 | 90274-22-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)/C=C/2\C3=CC=CC=C3C(=O)NC4=CC=CC=C42 |
Product Overview
Darenzepine (CAS 90274-22-9), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: (11E)-11-[2-(4-methylpiperazin-1-yl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one.
Chemical Property Profile of Darenzepine
Property Insights of Darenzepine
The XLogP value of 2.458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Darenzepine. With a topological polar surface area (TPSA) of 52.65 Ų, Darenzepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Darenzepine?
The CAS number of Darenzepine is 90274-22-9.
What is the molecular formula of Darenzepine?
The molecular formula of Darenzepine is C21H21N3O2.
What is the molecular weight of Darenzepine?
The molecular weight of Darenzepine is 347.16 g/mol.
Where can I buy Darenzepine?
You can request a quote for Darenzepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Darenzepine?
Yes, KEHONG BIO provides custom synthesis services for Darenzepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.