(Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid
TL;DR: (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid (CAS 1001567-40-3) is a chemical compound with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid
Also Known As: (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid, F1218-0202, 3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid, 3-{4-[(1Z)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-3-(4-methylphenyl)-1H-pyrazol-1-yl}propanoic acid
| Molecular Formula | C19H19N3O4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.8033 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.13754 |
| Heavy Atoms | 26 |
| Complexity | 873.17944 |
Chemical Identifiers
| CAS Number | 1001567-40-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CN(N=C1C2=CC=C(C=C2)C)CCC(=O)O)/C#N |
Product Overview
(Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid (CAS 1001567-40-3), with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol. IUPAC: 3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid.
Chemical Property Profile of (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid
Property Insights of (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid
The XLogP value of 2.8033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 5 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 (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
The CAS number of (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid is 1001567-40-3.
What is the molecular formula of (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
The molecular formula of (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid is C19H19N3O4.
What is the molecular weight of (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
The molecular weight of (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid is 353.14 g/mol.
Where can I buy (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
You can request a quote for (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.