AP-853/41269913
TL;DR: AP-853/41269913 (CAS 461438-22-2) is a chemical compound with molecular formula C22H15ClN2O3S2 and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: AP-853/41269913, 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate, 4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate, 4-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 3-chlorobenzo[b]thiophene-2-carboxylate, 4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C22H15ClN2O3S2 |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 5.86562 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.02127 |
| Heavy Atoms | 30 |
| Complexity | 1252.8627 |
Chemical Identifiers
| CAS Number | 461438-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AP-853/41269913 (CAS 461438-22-2), with molecular formula C22H15ClN2O3S2 and molecular weight 454.02 g/mol. IUPAC: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of AP-853/41269913
Property Insights of AP-853/41269913
The XLogP value of 5.86562 indicates that AP-853/41269913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/41269913. Following Lipinski's Rule of Five, AP-853/41269913 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-853/41269913?
The CAS number of AP-853/41269913 is 461438-22-2.
What is the molecular formula of AP-853/41269913?
The molecular formula of AP-853/41269913 is C22H15ClN2O3S2.
What is the molecular weight of AP-853/41269913?
The molecular weight of AP-853/41269913 is 454.02 g/mol.
Where can I buy AP-853/41269913?
You can request a quote for AP-853/41269913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/41269913?
Yes, KEHONG BIO provides custom synthesis services for AP-853/41269913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.