5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine
TL;DR: 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine (CAS 69352-70-1) is a chemical compound with molecular formula C21H26N2O and molecular weight 322.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone
Also Known As: 5-22-10-00559 (Beilstein Handbook Reference), 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine, 6,11-dihydro-5-acetyl-11-5h-dibenz[b,e]azepine, 6,11-Dihydro-5-acetyl-11- -5H-dibenz[b,e]azepine, Dibenz(b,e)azepine, 5,6-dihydro-5-acetyl-11-(3-dimethylaminopropyl)-
| Molecular Formula | C21H26N2O |
|---|---|
| Molecular Weight | 322.20 g/mol |
| LogP | 4.0268 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.2045 |
| Heavy Atoms | 24 |
| Complexity | 723.2836 |
Chemical Identifiers
| CAS Number | 69352-70-1 |
|---|---|
| SMILES | CC(=O)N1CC2=CC=CC=C2C(C3=CC=CC=C31)CCCN(C)C |
Product Overview
5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine (CAS 69352-70-1), with molecular formula C21H26N2O and molecular weight 322.20 g/mol. IUPAC: 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone.
Chemical Property Profile of 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine
Property Insights of 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine
The XLogP value of 4.0268 indicates that 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine has 0 hydrogen bond donor(s) and 2 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-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine?
The CAS number of 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine is 69352-70-1.
What is the molecular formula of 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine?
The molecular formula of 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine is C21H26N2O.
What is the molecular weight of 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine?
The molecular weight of 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine is 322.20 g/mol.
Where can I buy 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine?
You can request a quote for 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)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-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-5,6-dihydro-11-(3-dimethylaminopropyl)dibenz(b,e)azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.