1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester
TL;DR: 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester (CAS 160662-09-9) 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 2-[1-methyl-5-(4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate
Also Known As: 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester, Ethyl 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-1H-pyrazole-4-acetate, ethyl 2-[1-methyl-5-(4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate, Ethyl [1-methyl-5-(4-oxoquinazolin-3(4H)-yl)-1H-pyrazol-4-yl]acetate, 1-Methyl-5-[4-oxoquinazolin-3(4H)-yl]-1H-pyrazole-4-acetic acid ethyl ester
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 1.2248 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 926.4652 |
Chemical Identifiers
| CAS Number | 160662-09-9 |
|---|---|
| SMILES | CCOC(=O)CC1=C(N(N=C1)C)N2C=NC3=CC=CC=C3C2=O |
Product Overview
1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester (CAS 160662-09-9), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: ethyl 2-[1-methyl-5-(4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate.
Chemical Property Profile of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester
Property Insights of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester
The XLogP value of 1.2248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-acetic acid, 1-methyl-5-(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-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-4-acetic acid, 1-methyl-5-(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-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
The CAS number of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester is 160662-09-9.
What is the molecular formula of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
The molecular formula of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester is C16H16N4O3.
What is the molecular weight of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
The molecular weight of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester is 312.12 g/mol.
Where can I buy 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
You can request a quote for 1H-Pyrazole-4-acetic acid, 1-methyl-5-(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-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.