AP-853/42000756
TL;DR: AP-853/42000756 (CAS 663200-49-5) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AP-853/42000756, ethyl 2-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(4-oxoquinazolin-3(4H)-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[3-(4-oxo-3(4H)-quinazolinyl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.5423 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1164.8893 |
Chemical Identifiers
| CAS Number | 663200-49-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O |
Product Overview
AP-853/42000756 (CAS 663200-49-5), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: ethyl 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AP-853/42000756
Property Insights of AP-853/42000756
The XLogP value of 3.5423 indicates that AP-853/42000756 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-853/42000756. Following Lipinski's Rule of Five, AP-853/42000756 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-853/42000756?
The CAS number of AP-853/42000756 is 663200-49-5.
What is the molecular formula of AP-853/42000756?
The molecular formula of AP-853/42000756 is C22H23N3O4S.
What is the molecular weight of AP-853/42000756?
The molecular weight of AP-853/42000756 is 425.14 g/mol.
Where can I buy AP-853/42000756?
You can request a quote for AP-853/42000756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42000756?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42000756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.