(E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide
TL;DR: (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide (CAS 799772-39-7) is a chemical compound with molecular formula C23H23FN4O2 and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(2-fluorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Also Known As: (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide, N-[(1E)-1-(2-fluorophenyl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-4-methylbenzamide, N-[(E)-1-(2-fluorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
| Molecular Formula | C23H23FN4O2 |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 3.30802 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1805 |
| Heavy Atoms | 30 |
| Complexity | 1027.6213 |
Chemical Identifiers
| CAS Number | 799772-39-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2F)/C(=O)NCCCN3C=CN=C3 |
Product Overview
(E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide (CAS 799772-39-7), with molecular formula C23H23FN4O2 and molecular weight 406.18 g/mol. IUPAC: N-[(E)-1-(2-fluorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.
Chemical Property Profile of (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide
Property Insights of (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide
The XLogP value of 3.30802 indicates that (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide has 2 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 (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide?
The CAS number of (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide is 799772-39-7.
What is the molecular formula of (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide?
The molecular formula of (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide is C23H23FN4O2.
What is the molecular weight of (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide?
The molecular weight of (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide is 406.18 g/mol.
Where can I buy (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide?
You can request a quote for (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.