AP-853/42000758
TL;DR: AP-853/42000758 (CAS 663200-50-8) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate
Also Known As: AP-853/42000758, ethyl 5-ethyl-2-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}thiophene-3-carboxylate, ethyl 5-ethyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate, ethyl 5-ethyl-2-(3-(4-oxoquinazolin-3(4H)-yl)propanamido)thiophene-3-carboxylate, ethyl 5-ethyl-2-{[3-(4-oxo-3(4H)-quinazolinyl)propanoyl]amino}-3-thiophenecarboxylate
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.2259 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1070.7432 |
Chemical Identifiers
| CAS Number | 663200-50-8 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O)C(=O)OCC |
Product Overview
AP-853/42000758 (CAS 663200-50-8), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: ethyl 5-ethyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate.
Chemical Property Profile of AP-853/42000758
Property Insights of AP-853/42000758
The XLogP value of 3.2259 indicates that AP-853/42000758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42000758. Following Lipinski's Rule of Five, AP-853/42000758 has 1 hydrogen bond donor(s) and 6 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-853/42000758?
The CAS number of AP-853/42000758 is 663200-50-8.
What is the molecular formula of AP-853/42000758?
The molecular formula of AP-853/42000758 is C20H21N3O4S.
What is the molecular weight of AP-853/42000758?
The molecular weight of AP-853/42000758 is 399.13 g/mol.
Where can I buy AP-853/42000758?
You can request a quote for AP-853/42000758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42000758?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42000758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.