![2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid structure](/static/products/956/956199-32-9.png)
2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
TL;DR: 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 956199-32-9) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.12 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-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid
Also Known As: 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid, (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid, 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoicacid, 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic Acid
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 2.47256 |
| Topological Polar Surface Area | 121.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 931.6434 |
Chemical Identifiers
| CAS Number | 956199-32-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)CCC#N)OC |
Product Overview
2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 956199-32-9), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
Property Insights of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 2.47256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid. The TPSA of 121.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The CAS number of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid is 956199-32-9.
What is the molecular formula of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid is C18H16N4O4.
What is the molecular weight of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid is 352.12 g/mol.
Where can I buy 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.