F1596-1078
TL;DR: F1596-1078 (CAS 533888-45-8) is a chemical compound with molecular formula C22H15ClFN3O4 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2-nitrobenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: F1596-1078, 4-(5-chloro-2-nitrobenzoyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 4-(5-chloro-2-nitrobenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 4-(5-chloro-2-nitrobenzoyl)-7-fluoro-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 3-(5-chloro-2-nitro-benzoyl)-10-fluoro-2-phenyl-3,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-one
| Molecular Formula | C22H15ClFN3O4 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.5712 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.07352 |
| Heavy Atoms | 31 |
| Complexity | 1202.6154 |
Chemical Identifiers
| CAS Number | 533888-45-8 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
F1596-1078 (CAS 533888-45-8), with molecular formula C22H15ClFN3O4 and molecular weight 439.07 g/mol. IUPAC: 4-(5-chloro-2-nitrobenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of F1596-1078
Property Insights of F1596-1078
The XLogP value of 4.5712 indicates that F1596-1078 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 F1596-1078. Following Lipinski's Rule of Five, F1596-1078 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 F1596-1078?
The CAS number of F1596-1078 is 533888-45-8.
What is the molecular formula of F1596-1078?
The molecular formula of F1596-1078 is C22H15ClFN3O4.
What is the molecular weight of F1596-1078?
The molecular weight of F1596-1078 is 439.07 g/mol.
Where can I buy F1596-1078?
You can request a quote for F1596-1078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1596-1078?
Yes, KEHONG BIO provides custom synthesis services for F1596-1078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.