AP-853/42878269
TL;DR: AP-853/42878269 (CAS 538337-41-6) is a chemical compound with molecular formula C20H20N4O4S2 and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AP-853/42878269, ethyl 2-(2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1252-1213, ethyl 2-(2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H20N4O4S2 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 3.9794 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.0926 |
| Heavy Atoms | 30 |
| Complexity | 1048.5162 |
Chemical Identifiers
| CAS Number | 538337-41-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(O3)C4=CN=CC=C4 |
Product Overview
AP-853/42878269 (CAS 538337-41-6), with molecular formula C20H20N4O4S2 and molecular weight 444.09 g/mol. IUPAC: ethyl 2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AP-853/42878269
Property Insights of AP-853/42878269
The XLogP value of 3.9794 indicates that AP-853/42878269 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42878269. Following Lipinski's Rule of Five, AP-853/42878269 has 1 hydrogen bond donor(s) and 9 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-853/42878269?
The CAS number of AP-853/42878269 is 538337-41-6.
What is the molecular formula of AP-853/42878269?
The molecular formula of AP-853/42878269 is C20H20N4O4S2.
What is the molecular weight of AP-853/42878269?
The molecular weight of AP-853/42878269 is 444.09 g/mol.
Where can I buy AP-853/42878269?
You can request a quote for AP-853/42878269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42878269?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42878269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.