![Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate structure](/static/products/3700/370098-36-5.webp)
Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate
TL;DR: Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate (CAS 370098-36-5) is a chemical compound with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methylpyrazol-4-yl]prop-2-enoate
Also Known As: Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate, ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoate, ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methylpyrazol-4-yl]prop-2-enoate
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 1.57528 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 572.44415 |
Chemical Identifiers
| CAS Number | 370098-36-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CN(N=C1C)CCC#N)C#N |
Product Overview
Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate (CAS 370098-36-5), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methylpyrazol-4-yl]prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate
Property Insights of Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate
The XLogP value of 1.57528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate has 0 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 Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate?
The CAS number of Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate is 370098-36-5.
What is the molecular formula of Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate?
The molecular formula of Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate is C13H14N4O2.
What is the molecular weight of Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate?
The molecular weight of Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate is 258.11 g/mol.
Where can I buy Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate?
You can request a quote for Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.