Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester
TL;DR: Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester (CAS 104907-82-6) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate
Also Known As: Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester, 1H-Pyrazole-4-carboxylic acid, 5-(2-ethyl-4-oxo-3(4H)-quinazolinyl-1-methyl)-, ethyl ester, 5-(3,4-Dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylic acid ethyl ester, ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate, ethyl 5-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)-1-methyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 1.8583 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 971.6164 |
Chemical Identifiers
| CAS Number | 104907-82-6 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2C(=O)N1C3=C(C=NN3C)C(=O)OCC |
Product Overview
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester (CAS 104907-82-6), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate.
Chemical Property Profile of Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester
Property Insights of Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester
The XLogP value of 1.8583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester. Following Lipinski's Rule of Five, Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester 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 Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester?
The CAS number of Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester is 104907-82-6.
What is the molecular formula of Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester?
The molecular formula of Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester is C17H18N4O3.
What is the molecular weight of Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester?
The molecular weight of Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester is 326.14 g/mol.
Where can I buy Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester?
You can request a quote for Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.