1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
TL;DR: 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester (CAS 104907-81-5) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
Also Known As: 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester, Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-methyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester, monohydrate, ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate, ethyl 1-methyl-5-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-1H-pyrazole-4-carboxylate, Ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3(4H)-yl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 1.60432 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 955.604 |
Chemical Identifiers
| CAS Number | 104907-81-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C |
Product Overview
1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester (CAS 104907-81-5), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate.
Chemical Property Profile of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
Property Insights of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
The XLogP value of 1.60432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, 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 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
The CAS number of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester is 104907-81-5.
What is the molecular formula of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
The molecular formula of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester is C16H16N4O3.
What is the molecular weight of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
The molecular weight of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester is 312.12 g/mol.
Where can I buy 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
You can request a quote for 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.