RefChem:376127
TL;DR: RefChem:376127 (CAS 104907-89-3) is a chemical compound with molecular formula C20H16N4O3 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
Also Known As: Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester, 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, ethyl ester, 5-(3,4-Dihydro-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid ethyl ester, ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate, Ethyl 5-(4-oxoquinazolin-3(4H)-yl)-1-phenyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C20H16N4O3 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 2.7481 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.12225 |
| Heavy Atoms | 27 |
| Complexity | 1178.7839 |
Chemical Identifiers
| CAS Number | 104907-89-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O |
Product Overview
RefChem:376127 (CAS 104907-89-3), with molecular formula C20H16N4O3 and molecular weight 360.12 g/mol. IUPAC: ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of RefChem:376127
Property Insights of RefChem:376127
The XLogP value of 2.7481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:376127. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:376127. Following Lipinski's Rule of Five, RefChem:376127 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:376127?
The CAS number of RefChem:376127 is 104907-89-3.
What is the molecular formula of RefChem:376127?
The molecular formula of RefChem:376127 is C20H16N4O3.
What is the molecular weight of RefChem:376127?
The molecular weight of RefChem:376127 is 360.12 g/mol.
Where can I buy RefChem:376127?
You can request a quote for RefChem:376127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:376127?
Yes, KEHONG BIO provides custom synthesis services for RefChem:376127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.