F1596-1090
TL;DR: F1596-1090 (CAS 533888-59-4) is a chemical compound with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-4-(4-methyl-3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: F1596-1090, 7-fluoro-4-(4-methyl-3-nitrobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-fluoro-4-(4-methyl-3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-fluoro-4-(4-methyl-3-nitrobenzoyl)-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
| Molecular Formula | C23H18FN3O4 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.22622 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.12814 |
| Heavy Atoms | 31 |
| Complexity | 1196.6809 |
Chemical Identifiers
| CAS Number | 533888-59-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F)[N+](=O)[O-] |
Product Overview
F1596-1090 (CAS 533888-59-4), with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol. IUPAC: 7-fluoro-4-(4-methyl-3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of F1596-1090
Property Insights of F1596-1090
The XLogP value of 4.22622 indicates that F1596-1090 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 F1596-1090. Following Lipinski's Rule of Five, F1596-1090 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 F1596-1090?
The CAS number of F1596-1090 is 533888-59-4.
What is the molecular formula of F1596-1090?
The molecular formula of F1596-1090 is C23H18FN3O4.
What is the molecular weight of F1596-1090?
The molecular weight of F1596-1090 is 419.13 g/mol.
Where can I buy F1596-1090?
You can request a quote for F1596-1090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1596-1090?
Yes, KEHONG BIO provides custom synthesis services for F1596-1090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.