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5-acetyl-10-bromo-5H-dibenz[b,f]azepine
TL;DR: 5-acetyl-10-bromo-5H-dibenz[b,f]azepine (CAS 28941-65-3) is a chemical compound with molecular formula C16H12BrNO and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromobenzo[b][1]benzazepin-11-yl)ethanone
Also Known As: ETH097, 5-acetyl-10-bromo-5H-dibenz[b,f]azepine, 5-Acetyl-10-bromo-5H-dibenzo[b,f]azepine, Ethanone, 1-(10-bromo-5H-dibenz[b,f]azepin-5-yl)-, 1-(5-bromobenzo[b][1]benzazepin-11-yl)ethanone
| Molecular Formula | C16H12BrNO |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.01022 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 28941-65-3 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C=C(C3=CC=CC=C31)Br |
| InChIKey | RFLOWQIDXYCARJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-acetyl-10-bromo-5H-dibenz[b,f]azepine (CAS 28941-65-3), with molecular formula C16H12BrNO and molecular weight 313.01 g/mol. IUPAC: 1-(5-bromobenzo[b][1]benzazepin-11-yl)ethanone.
Chemical Property Profile of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine
Property Insights of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine
The XLogP value of 3.7 indicates that 5-acetyl-10-bromo-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-10-bromo-5H-dibenz[b,f]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-acetyl-10-bromo-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
Frequently Asked Questions
What is the CAS number of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine?
The CAS number of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine is 28941-65-3.
What is the molecular formula of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine?
The molecular formula of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine is C16H12BrNO.
What is the molecular weight of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine?
The molecular weight of 5-acetyl-10-bromo-5H-dibenz[b,f]azepine is 313.01 g/mol.
Where can I buy 5-acetyl-10-bromo-5H-dibenz[b,f]azepine?
You can request a quote for 5-acetyl-10-bromo-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-bromo-5H-dibenz[b,f]azepine?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-10-bromo-5H-dibenz[b,f]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.