3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester
TL;DR: 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester (CAS 51294-76-9) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-phenylpyrazol-4-yl)prop-2-enoate
Also Known As: ethyl 3-(1-phenylpyrazol-4-yl)prop-2-enoate, 3-(1-phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester, Ethyl 3-(1-phenyl-1H-pyrazol-4-yl)-2-propenoate, Ethyl 3-(1-phenyl-1H-pyrazol-4-yl)prop-2-enoate
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.4486 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 543.93146 |
Chemical Identifiers
| CAS Number | 51294-76-9 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CN(N=C1)C2=CC=CC=C2 |
Product Overview
3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester (CAS 51294-76-9), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: ethyl 3-(1-phenylpyrazol-4-yl)prop-2-enoate.
Chemical Property Profile of 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester
Property Insights of 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester
The XLogP value of 2.4486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester. With a topological polar surface area (TPSA) of 44.12 Ų, 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester has 0 hydrogen bond donor(s) and 3 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 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester?
The CAS number of 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester is 51294-76-9.
What is the molecular formula of 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester?
The molecular formula of 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester is C14H14N2O2.
What is the molecular weight of 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester?
The molecular weight of 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester is 242.11 g/mol.
Where can I buy 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester?
You can request a quote for 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.