RefChem:239957
TL;DR: RefChem:239957 (CAS 160662-12-4) is a chemical compound with molecular formula C22H20N4O3 and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-methyl-5-(4-oxo-2-phenylquinazolin-3-yl)pyrazol-4-yl]acetate
Also Known As: 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester, Ethyl 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-1H-pyrazole-4-acetate, ethyl 2-[1-methyl-5-(4-oxo-2-phenylquinazolin-3-yl)pyrazol-4-yl]acetate, 1-Methyl-5-[2-phenyl-4-oxoquinazolin-3(4H)-yl]-1H-pyrazole-4-acetic acid ethyl ester, 1H-Pyrazole-4-aceticacid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester
| Molecular Formula | C22H20N4O3 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 2.8918 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.15353 |
| Heavy Atoms | 29 |
| Complexity | 1242.1399 |
Chemical Identifiers
| CAS Number | 160662-12-4 |
|---|---|
| SMILES | CCOC(=O)CC1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 |
Product Overview
RefChem:239957 (CAS 160662-12-4), with molecular formula C22H20N4O3 and molecular weight 388.15 g/mol. IUPAC: ethyl 2-[1-methyl-5-(4-oxo-2-phenylquinazolin-3-yl)pyrazol-4-yl]acetate.
Chemical Property Profile of RefChem:239957
Property Insights of RefChem:239957
The XLogP value of 2.8918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239957. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239957. Following Lipinski's Rule of Five, RefChem:239957 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 RefChem:239957?
The CAS number of RefChem:239957 is 160662-12-4.
What is the molecular formula of RefChem:239957?
The molecular formula of RefChem:239957 is C22H20N4O3.
What is the molecular weight of RefChem:239957?
The molecular weight of RefChem:239957 is 388.15 g/mol.
Where can I buy RefChem:239957?
You can request a quote for RefChem:239957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239957?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.