![4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one structure](/static/products/335/335258-08-7.png)
4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
TL;DR: 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one (CAS 335258-08-7) is a chemical compound with molecular formula C26H17FN4O and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one, 8-(4-Fluoro-phenylethynyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo [b][1,4]diazepin-2-one, 8-(4-Fluoro-phenylethynyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
| Molecular Formula | C26H17FN4O |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 4.8742 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.13864 |
| Heavy Atoms | 32 |
| Complexity | 1394.0201 |
Chemical Identifiers
| CAS Number | 335258-08-7 |
|---|---|
| SMILES | C1C(=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)F)NC1=O)C4=CC(=CC=C4)N5C=CN=C5 |
Product Overview
4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one (CAS 335258-08-7), with molecular formula C26H17FN4O and molecular weight 420.14 g/mol. IUPAC: 8-[2-(4-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
Property Insights of 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
The XLogP value of 4.8742 indicates that 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one has 1 hydrogen bond donor(s) and 3 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-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one?
The CAS number of 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one is 335258-08-7.
What is the molecular formula of 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one?
The molecular formula of 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one is C26H17FN4O.
What is the molecular weight of 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one?
The molecular weight of 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one is 420.14 g/mol.
Where can I buy 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one?
You can request a quote for 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-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-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(1H-Imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.