![2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid structure](/static/products/1006/1006493-33-9.webp)
2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
TL;DR: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 1006493-33-9) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoic acid
Also Known As: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid, (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoic acid, 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoicacid, 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoic Acid, 2-cyano-3-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ylprop-2-enoic acid
| Molecular Formula | C17H14N4O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 2.46396 |
| Topological Polar Surface Area | 111.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.1066 |
| Heavy Atoms | 24 |
| Complexity | 851.4413 |
Chemical Identifiers
| CAS Number | 1006493-33-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)CCC#N |
Product Overview
2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 1006493-33-9), with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol. IUPAC: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
Property Insights of 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 2.46396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid. The TPSA of 111.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic 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 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The CAS number of 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid is 1006493-33-9.
What is the molecular formula of 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid is C17H14N4O3.
What is the molecular weight of 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid is 322.11 g/mol.
Where can I buy 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.