F1596-0794
TL;DR: F1596-0794 (CAS 533879-32-2) is a chemical compound with molecular formula C22H15Cl2N3O4 and molecular weight 455.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-(2-chloro-5-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: F1596-0794, 7-chloro-4-(2-chloro-5-nitrobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-chloro-4-(2-chloro-5-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-chloro-4-(2-chloro-5-nitrobenzoyl)-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 10-chloro-3-(2-chloro-5-nitro-benzoyl)-2-phenyl-3,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-one
| Molecular Formula | C22H15Cl2N3O4 |
|---|---|
| Molecular Weight | 455.04 g/mol |
| LogP | 5.0855 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.04398 |
| Heavy Atoms | 31 |
| Complexity | 1200.6154 |
Chemical Identifiers
| CAS Number | 533879-32-2 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4 |
Product Overview
F1596-0794 (CAS 533879-32-2), with molecular formula C22H15Cl2N3O4 and molecular weight 455.04 g/mol. IUPAC: 7-chloro-4-(2-chloro-5-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of F1596-0794
Property Insights of F1596-0794
The XLogP value of 5.0855 indicates that F1596-0794 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 F1596-0794. Following Lipinski's Rule of Five, F1596-0794 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 F1596-0794?
The CAS number of F1596-0794 is 533879-32-2.
What is the molecular formula of F1596-0794?
The molecular formula of F1596-0794 is C22H15Cl2N3O4.
What is the molecular weight of F1596-0794?
The molecular weight of F1596-0794 is 455.04 g/mol.
Where can I buy F1596-0794?
You can request a quote for F1596-0794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1596-0794?
Yes, KEHONG BIO provides custom synthesis services for F1596-0794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.