5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine
TL;DR: 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine (CAS 79752-03-7) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Also Known As: Clomipramine Impurity 5, 1-(3-NITRO-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)ETHANONE, 1- ETHANONE, ChemDiv1_020026, 3-Nitro-5-acetyliminodibenzyl
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 3.378 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 740.052 |
Chemical Identifiers
| CAS Number | 79752-03-7 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)[N+](=O)[O-] |
Product Overview
5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine (CAS 79752-03-7), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 1-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone.
Chemical Property Profile of 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine
Property Insights of 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine
The XLogP value of 3.378 indicates that 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine. Following Lipinski's Rule of Five, 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine 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 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine?
The CAS number of 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine is 79752-03-7.
What is the molecular formula of 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine?
The molecular formula of 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine is C16H14N2O3.
What is the molecular weight of 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine?
The molecular weight of 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine is 282.10 g/mol.
Where can I buy 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine?
You can request a quote for 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(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-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-10,11-dihydro-3-nitro-5H-dibenz(b,f)azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.