5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride
TL;DR: 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride (CAS 118989-88-1) is a chemical compound with molecular formula C21H25Cl2N3O and molecular weight 405.13748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
Also Known As: 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride, 5-(2-(4-Methyl-1-piperazinyl)acetyl)-5H-dibenz(b,f)azepine dihydrochloride, 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone;dihydrochloride, 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride, 1-(5H-Dibenzo[b,f]azepin-5-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C21H25Cl2N3O |
| Molecular Weight | 405.13748 g/mol |
| XLogP | 3.9261 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.13748 Da |
| Heavy Atoms | 27 |
| Complexity | 471.0 |
| SMILES | CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.Cl.Cl |
| InChIKey | IIAUTSWBXOKZFC-UHFFFAOYSA-N |
Chemical Property Profile of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride
Property Insights of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride
The XLogP value of 3.9261 indicates that 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride?
The CAS number of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride is 118989-88-1.
What is the molecular formula of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride?
The molecular formula of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride is C21H25Cl2N3O.
What is the molecular weight of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride?
The molecular weight of 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride is 405.13748 g/mol.
Where can I buy 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride?
You can request a quote for 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 5H-Dibenz(b,f)azepine, 5-(2-(4-methyl-1-piperazinyl)acetyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.