![2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate structure](/static/products/4256/425653-73-2.webp)
2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate
TL;DR: 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS 425653-73-2) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1-methylpyrazole-3-carboxylate
Also Known As: ChemDiv2_000430, BAS 02767622, 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate, [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1-methylpyrazole-3-carboxylate, 2-((2-(methoxycarbonyl)phenyl)amino)-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 425653-73-2 |
|---|---|
| SMILES | CN1C=CC(=N1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC |
| InChIKey | BKNAXKHYEVFPHE-UHFFFAOYSA-N |
Product Overview
2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS 425653-73-2), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1-methylpyrazole-3-carboxylate.
Chemical Property Profile of 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate
Property Insights of 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate 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-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate?
The CAS number of 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate is 425653-73-2.
What is the molecular formula of 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate is C15H15N3O5.
What is the molecular weight of 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate is 317.10 g/mol.
Where can I buy 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-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 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(methoxycarbonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.