![10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/3545/354539-04-1.webp)
10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 354539-04-1) is a chemical compound with molecular formula C27H23N3O4 and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(3-nitrophenyl)-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-9-(3-nitrophenyl)-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-acetyl-3-(3-nitrophenyl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[1-hydroxy-3-(3-nitrophenyl)-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
| Molecular Formula | C27H23N3O4 |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 5.5153 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.16885 |
| Heavy Atoms | 34 |
| Complexity | 1332.4666 |
Chemical Identifiers
| CAS Number | 354539-04-1 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C41)C5=CC=CC=C5 |
Product Overview
10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 354539-04-1), with molecular formula C27H23N3O4 and molecular weight 453.17 g/mol. IUPAC: 5-acetyl-9-(3-nitrophenyl)-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 5.5153 indicates that 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 354539-04-1.
What is the molecular formula of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C27H23N3O4.
What is the molecular weight of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 453.17 g/mol.
Where can I buy 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 10-acetyl-3-{3-nitrophenyl}-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.