(Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid
TL;DR: (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid (CAS 1001759-22-3) is a chemical compound with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid
Also Known As: (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid, F1218-0201, 3-[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid, 3-{4-[(1Z)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-3-(4-methylphenyl)-1H-pyrazol-1-yl}propanoic acid, 3-[4-[(Z)-2-carbamoyl-2-cyano-ethenyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic Acid
| Molecular Formula | C17H16N4O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 1.7255 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.12225 |
| Heavy Atoms | 24 |
| Complexity | 841.7109 |
Chemical Identifiers
| CAS Number | 1001759-22-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)N)CCC(=O)O |
Product Overview
(Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid (CAS 1001759-22-3), with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol. IUPAC: 3-[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid.
Chemical Property Profile of (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid
Property Insights of (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid
The XLogP value of 1.7255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid has 2 hydrogen bond donor(s) and 4 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-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
The CAS number of (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid is 1001759-22-3.
What is the molecular formula of (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
The molecular formula of (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid is C17H16N4O3.
What is the molecular weight of (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
The molecular weight of (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid is 324.12 g/mol.
Where can I buy (Z)-3-(4-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-3-(p-tolyl)-1H-pyrazol-1-yl)propanoic acid?
You can request a quote for (Z)-3-(4-(3-amino-2-cyano-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-(3-amino-2-cyano-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-(3-amino-2-cyano-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.