AP-853/42935665
TL;DR: AP-853/42935665 (CAS 823834-71-5) is a chemical compound with molecular formula C18H18N4O4S2 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: AP-853/42935665, ethyl 4,5-dimethyl-2-[({[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]-3-thiophenecarboxylate, ethyl 4,5-dimethyl-2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[({[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate
| Molecular Formula | C18H18N4O4S2 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 3.71744 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.07693 |
| Heavy Atoms | 28 |
| Complexity | 984.8945 |
Chemical Identifiers
| CAS Number | 823834-71-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 |
Product Overview
AP-853/42935665 (CAS 823834-71-5), with molecular formula C18H18N4O4S2 and molecular weight 418.08 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AP-853/42935665
Property Insights of AP-853/42935665
The XLogP value of 3.71744 indicates that AP-853/42935665 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-853/42935665. Following Lipinski's Rule of Five, AP-853/42935665 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-853/42935665?
The CAS number of AP-853/42935665 is 823834-71-5.
What is the molecular formula of AP-853/42935665?
The molecular formula of AP-853/42935665 is C18H18N4O4S2.
What is the molecular weight of AP-853/42935665?
The molecular weight of AP-853/42935665 is 418.08 g/mol.
Where can I buy AP-853/42935665?
You can request a quote for AP-853/42935665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42935665?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42935665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.