AP-853/42000729
TL;DR: AP-853/42000729 (CAS 694463-17-7) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate
Also Known As: AP-853/42000729, ethyl 5-ethyl-2-({[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)thiophene-3-carboxylate, ethyl 5-ethyl-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate, ethyl 5-ethyl-2-(1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamido)thiophene-3-carboxylate, ethyl 5-ethyl-2-({[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.4874 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 906.2953 |
Chemical Identifiers
| CAS Number | 694463-17-7 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC)C(=O)OCC |
Product Overview
AP-853/42000729 (CAS 694463-17-7), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: ethyl 5-ethyl-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AP-853/42000729
Property Insights of AP-853/42000729
The XLogP value of 3.4874 indicates that AP-853/42000729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42000729. Following Lipinski's Rule of Five, AP-853/42000729 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-853/42000729?
The CAS number of AP-853/42000729 is 694463-17-7.
What is the molecular formula of AP-853/42000729?
The molecular formula of AP-853/42000729 is C21H24N2O5S.
What is the molecular weight of AP-853/42000729?
The molecular weight of AP-853/42000729 is 416.14 g/mol.
Where can I buy AP-853/42000729?
You can request a quote for AP-853/42000729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42000729?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42000729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.