F1596-0532
TL;DR: F1596-0532 (CAS 533876-80-1) is a chemical compound with molecular formula C22H14BrClFN3O4 and molecular weight 516.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-4-(2-chloro-5-nitrobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: F1596-0532, 7-bromo-4-(2-chloro-5-nitrobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(2-chloro-5-nitrobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(2-chloro-5-nitrobenzoyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 7-bromo-4-(2-chloro-5-nitrobenzoyl)-5-(p-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C22H14BrClFN3O4 |
|---|---|
| Molecular Weight | 516.98 g/mol |
| LogP | 5.3337 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.984 |
| Heavy Atoms | 32 |
| Complexity | 1252.4233 |
Chemical Identifiers
| CAS Number | 533876-80-1 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)F |
Product Overview
F1596-0532 (CAS 533876-80-1), with molecular formula C22H14BrClFN3O4 and molecular weight 516.98 g/mol. IUPAC: 7-bromo-4-(2-chloro-5-nitrobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of F1596-0532
Property Insights of F1596-0532
The XLogP value of 5.3337 indicates that F1596-0532 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 F1596-0532. Following Lipinski's Rule of Five, F1596-0532 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1596-0532?
The CAS number of F1596-0532 is 533876-80-1.
What is the molecular formula of F1596-0532?
The molecular formula of F1596-0532 is C22H14BrClFN3O4.
What is the molecular weight of F1596-0532?
The molecular weight of F1596-0532 is 516.98 g/mol.
Where can I buy F1596-0532?
You can request a quote for F1596-0532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1596-0532?
Yes, KEHONG BIO provides custom synthesis services for F1596-0532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.