4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
TL;DR: 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one (CAS 533880-27-2) is a chemical compound with molecular formula C24H20F2N2O2 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, F0560-0878, 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C24H20F2N2O2 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.76554 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.1493 |
| Heavy Atoms | 30 |
| Complexity | 1122.1929 |
Chemical Identifiers
| CAS Number | 533880-27-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F)C |
Product Overview
4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one (CAS 533880-27-2), with molecular formula C24H20F2N2O2 and molecular weight 406.15 g/mol. IUPAC: 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
Property Insights of 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
The XLogP value of 4.76554 indicates that 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 2 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 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The CAS number of 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is 533880-27-2.
What is the molecular formula of 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The molecular formula of 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is C24H20F2N2O2.
What is the molecular weight of 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The molecular weight of 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is 406.15 g/mol.
Where can I buy 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
You can request a quote for 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-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 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-dimethylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-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.