methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate
TL;DR: methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate (CAS 517870-28-9) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate
Also Known As: 5-Styryl-1H-pyrazole-3-carboxylic acid methyl ester, methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.3667 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 529.3623 |
Chemical Identifiers
| CAS Number | 517870-28-9 |
|---|---|
| SMILES | COC(=O)C1=NNC(=C1)C=CC2=CC=CC=C2 |
Product Overview
methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate (CAS 517870-28-9), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate.
Chemical Property Profile of methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate
Property Insights of methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate
The XLogP value of 2.3667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate has 1 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 methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate?
The CAS number of methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate is 517870-28-9.
What is the molecular formula of methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate is C13H12N2O2.
What is the molecular weight of methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate is 228.09 g/mol.
Where can I buy methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(2-phenylethenyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.