ChemDiv1_005572
TL;DR: ChemDiv1_005572 (CAS 374541-53-4) is a chemical compound with molecular formula C28H25N3O4 and molecular weight 467.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(4-methylphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005572, BAS 02101812, 5-acetyl-6-(4-methylphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-Acetyl-3-(3-nitro-phenyl)-11-p-tolyl-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4, 10-ACETYL-11-(4-METHYLPHENYL)-3-(3-NITROPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C28H25N3O4 |
|---|---|
| Molecular Weight | 467.18 g/mol |
| LogP | 5.82372 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.1845 |
| Heavy Atoms | 35 |
| Complexity | 1376.9596 |
Chemical Identifiers
| CAS Number | 374541-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=CC=C4)[N+](=O)[O-])NC5=CC=CC=C5N2C(=O)C |
Product Overview
ChemDiv1_005572 (CAS 374541-53-4), with molecular formula C28H25N3O4 and molecular weight 467.18 g/mol. IUPAC: 5-acetyl-6-(4-methylphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005572
Property Insights of ChemDiv1_005572
The XLogP value of 5.82372 indicates that ChemDiv1_005572 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 ChemDiv1_005572. Following Lipinski's Rule of Five, ChemDiv1_005572 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 ChemDiv1_005572?
The CAS number of ChemDiv1_005572 is 374541-53-4.
What is the molecular formula of ChemDiv1_005572?
The molecular formula of ChemDiv1_005572 is C28H25N3O4.
What is the molecular weight of ChemDiv1_005572?
The molecular weight of ChemDiv1_005572 is 467.18 g/mol.
Where can I buy ChemDiv1_005572?
You can request a quote for ChemDiv1_005572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005572?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.