N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide
TL;DR: N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide (CAS 384801-77-8) is a chemical compound with molecular formula C31H29FN4O4 and molecular weight 540.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide
Also Known As: N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide, (2Z)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-2-[(4-methoxyphenyl)carbonyla mino]-N-(oxolan-2-ylmethyl)prop-2-enamide, (Z)-N-(1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxo-3-(((tetrahydrofuran-2-yl)methyl)amino)prop-1-en-2-yl)-4-methoxybenzamide, N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide
| Molecular Formula | C31H29FN4O4 |
|---|---|
| Molecular Weight | 540.22 g/mol |
| LogP | 4.7531 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.2173 |
| Heavy Atoms | 40 |
| Complexity | 1492.8496 |
Chemical Identifiers
| CAS Number | 384801-77-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)/C(=O)NCC5CCCO5 |
Product Overview
N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide (CAS 384801-77-8), with molecular formula C31H29FN4O4 and molecular weight 540.22 g/mol. IUPAC: N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide.
Chemical Property Profile of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide
Property Insights of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide
The XLogP value of 4.7531 indicates that N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide. Following Lipinski's Rule of Five, N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide?
The CAS number of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide is 384801-77-8.
What is the molecular formula of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide?
The molecular formula of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide is C31H29FN4O4.
What is the molecular weight of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide?
The molecular weight of N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide is 540.22 g/mol.
Where can I buy N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide?
You can request a quote for N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{(1Z)-1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-2-yl}-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.