7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
TL;DR: 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one (CAS 533888-60-7) is a chemical compound with molecular formula C23H17F2N3O4 and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
| Molecular Formula | C23H17F2N3O4 |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 4.36532 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.1187 |
| Heavy Atoms | 32 |
| Complexity | 1244.4889 |
Chemical Identifiers
| CAS Number | 533888-60-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F)[N+](=O)[O-] |
Product Overview
7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one (CAS 533888-60-7), with molecular formula C23H17F2N3O4 and molecular weight 437.12 g/mol. IUPAC: 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
Property Insights of 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
The XLogP value of 4.36532 indicates that 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one 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 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one. Following Lipinski's Rule of Five, 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one 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 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The CAS number of 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is 533888-60-7.
What is the molecular formula of 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The molecular formula of 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is C23H17F2N3O4.
What is the molecular weight of 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The molecular weight of 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is 437.12 g/mol.
Where can I buy 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
You can request a quote for 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-fluoro-5-(4-fluorophenyl)-4-(4-methyl-3-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.