AP-853/42879156
TL;DR: AP-853/42879156 (CAS 823825-29-2) is a chemical compound with molecular formula C25H22N4O5S and molecular weight 490.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate
Also Known As: AP-853/42879156, ethyl 4-methyl-2-{[(4-oxoquinazolin-3(4H)-yl)acetyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 4-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 4-methyl-2-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 5-(anilinocarbonyl)-4-methyl-2-{[(4-oxo-3(4H)-quinazolinyl)acetyl]amino}-3-thiophenecarboxylate
| Molecular Formula | C25H22N4O5S |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 3.83412 |
| Topological Polar Surface Area | 119.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.1311 |
| Heavy Atoms | 35 |
| Complexity | 1476.4963 |
Chemical Identifiers
| CAS Number | 823825-29-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O |
Product Overview
AP-853/42879156 (CAS 823825-29-2), with molecular formula C25H22N4O5S and molecular weight 490.13 g/mol. IUPAC: ethyl 4-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate.
Chemical Property Profile of AP-853/42879156
Property Insights of AP-853/42879156
The XLogP value of 3.83412 indicates that AP-853/42879156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42879156. Following Lipinski's Rule of Five, AP-853/42879156 has 2 hydrogen bond donor(s) and 7 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 AP-853/42879156?
The CAS number of AP-853/42879156 is 823825-29-2.
What is the molecular formula of AP-853/42879156?
The molecular formula of AP-853/42879156 is C25H22N4O5S.
What is the molecular weight of AP-853/42879156?
The molecular weight of AP-853/42879156 is 490.13 g/mol.
Where can I buy AP-853/42879156?
You can request a quote for AP-853/42879156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42879156?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42879156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.