2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate
TL;DR: 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate (CAS 860611-59-2) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate
Also Known As: 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate, 10W-0243, 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate, 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate, 2-(3-methyl-5-oxo-1-phenyl-2H-pyrazol-4-yl)ethyl thiophene-2-carboxylate
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.93502 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 847.8533 |
Chemical Identifiers
| CAS Number | 860611-59-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCOC(=O)C3=CC=CS3 |
Product Overview
2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate (CAS 860611-59-2), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate.
Chemical Property Profile of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate
Property Insights of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate
The XLogP value of 2.93502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate has 1 hydrogen bond donor(s) and 4 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-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate?
The CAS number of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate is 860611-59-2.
What is the molecular formula of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate?
The molecular formula of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate is C17H16N2O3S.
What is the molecular weight of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate?
The molecular weight of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate is 328.09 g/mol.
Where can I buy 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate?
You can request a quote for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.