4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
TL;DR: 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (CAS 312758-72-8) is a chemical compound with molecular formula C17H15BrN2O2 and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-7-bromo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 4-acetyl-7-bromo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 4-acetyl-7-bromo-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
| Molecular Formula | C17H15BrN2O2 |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | 3.3391 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.03168 |
| Heavy Atoms | 22 |
| Complexity | 730.6937 |
Chemical Identifiers
| CAS Number | 312758-72-8 |
|---|---|
| SMILES | CC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br |
Product Overview
4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (CAS 312758-72-8), with molecular formula C17H15BrN2O2 and molecular weight 358.03 g/mol. IUPAC: 4-acetyl-7-bromo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Property Insights of 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
The XLogP value of 3.3391 indicates that 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one has 1 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 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
The CAS number of 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one is 312758-72-8.
What is the molecular formula of 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
The molecular formula of 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one is C17H15BrN2O2.
What is the molecular weight of 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
The molecular weight of 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one is 358.03 g/mol.
Where can I buy 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
You can request a quote for 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.