F1596-0543
TL;DR: F1596-0543 (CAS 533876-91-4) is a chemical compound with molecular formula C23H18BrN3O4 and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-4-(2-methyl-3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: F1596-0543, 7-bromo-4-(2-methyl-3-nitrobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(2-methyl-3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(2-methyl-3-nitrobenzoyl)-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 10-bromo-3-(2-methyl-3-nitro-benzoyl)-2-phenyl-3,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-one
| Molecular Formula | C23H18BrN3O4 |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 4.84962 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.04807 |
| Heavy Atoms | 31 |
| Complexity | 1196.6809 |
Chemical Identifiers
| CAS Number | 533876-91-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br |
Product Overview
F1596-0543 (CAS 533876-91-4), with molecular formula C23H18BrN3O4 and molecular weight 479.05 g/mol. IUPAC: 7-bromo-4-(2-methyl-3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of F1596-0543
Property Insights of F1596-0543
The XLogP value of 4.84962 indicates that F1596-0543 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 F1596-0543. Following Lipinski's Rule of Five, F1596-0543 has 1 hydrogen bond donor(s) and 4 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 F1596-0543?
The CAS number of F1596-0543 is 533876-91-4.
What is the molecular formula of F1596-0543?
The molecular formula of F1596-0543 is C23H18BrN3O4.
What is the molecular weight of F1596-0543?
The molecular weight of F1596-0543 is 479.05 g/mol.
Where can I buy F1596-0543?
You can request a quote for F1596-0543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1596-0543?
Yes, KEHONG BIO provides custom synthesis services for F1596-0543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.