AP-853/41543942
TL;DR: AP-853/41543942 (CAS 727385-64-0) is a chemical compound with molecular formula C25H16N2O4S and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate
Also Known As: AP-853/41543942, 2-benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester, 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate, 4-((5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl benzofuran-2-carboxylate, 4-{[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butynyl 1-benzofuran-2-carboxylate
| Molecular Formula | C25H16N2O4S |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 5.5885 |
| Topological Polar Surface Area | 78.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.08307 |
| Heavy Atoms | 32 |
| Complexity | 1437.1613 |
Chemical Identifiers
| CAS Number | 727385-64-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
AP-853/41543942 (CAS 727385-64-0), with molecular formula C25H16N2O4S and molecular weight 440.08 g/mol. IUPAC: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate.
Chemical Property Profile of AP-853/41543942
Property Insights of AP-853/41543942
The XLogP value of 5.5885 indicates that AP-853/41543942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/41543942. Following Lipinski's Rule of Five, AP-853/41543942 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-853/41543942?
The CAS number of AP-853/41543942 is 727385-64-0.
What is the molecular formula of AP-853/41543942?
The molecular formula of AP-853/41543942 is C25H16N2O4S.
What is the molecular weight of AP-853/41543942?
The molecular weight of AP-853/41543942 is 440.08 g/mol.
Where can I buy AP-853/41543942?
You can request a quote for AP-853/41543942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/41543942?
Yes, KEHONG BIO provides custom synthesis services for AP-853/41543942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.