![5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine structure](/static/products/2596/25961-11-9.webp)
5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
TL;DR: 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine (CAS 25961-11-9) is a chemical compound with molecular formula C16H14ClNO and molecular weight 271.0764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Also Known As: 5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine, 3-Chloro-5-acetyliminodibenzyl, Clomipramine Impurity 3, 5-Acetyl-3-Chloroiminodibenzyl, Carbamazepine Impurity 1
Technical Specifications
| Molecular Formula | C16H14ClNO |
| Molecular Weight | 271.0764 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.0764 Da |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
| SMILES | CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl |
| InChIKey | NMZOSOMVILZBJL-UHFFFAOYSA-N |
Chemical Property Profile of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
Property Insights of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
The XLogP value of 3.8 indicates that 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine?
The CAS number of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine is 25961-11-9.
What is the molecular formula of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine?
The molecular formula of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine is C16H14ClNO.
What is the molecular weight of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine?
The molecular weight of 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine is 271.0764 g/mol.
Where can I buy 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine?
You can request a quote for 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine?
Yes, CoreyChem provides custom synthesis services for 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.