AP-853/41269935
TL;DR: AP-853/41269935 (CAS 461437-91-2) is a chemical compound with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2,2-dimethylpropanoate
Also Known As: AP-853/41269935, 4-((5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl pivalate, 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-ynyl pivalate, 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2,2-dimethylpropanoate, 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2,2-dimethylpropanoate
| Molecular Formula | C17H17BrN2O3S |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 4.1839 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.01434 |
| Heavy Atoms | 24 |
| Complexity | 754.62335 |
Chemical Identifiers
| CAS Number | 461437-91-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCC#CCSC1=NN=C(O1)C2=CC=C(C=C2)Br |
Product Overview
AP-853/41269935 (CAS 461437-91-2), with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol. IUPAC: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2,2-dimethylpropanoate.
Chemical Property Profile of AP-853/41269935
Property Insights of AP-853/41269935
The XLogP value of 4.1839 indicates that AP-853/41269935 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-853/41269935. Following Lipinski's Rule of Five, AP-853/41269935 has 0 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-853/41269935?
The CAS number of AP-853/41269935 is 461437-91-2.
What is the molecular formula of AP-853/41269935?
The molecular formula of AP-853/41269935 is C17H17BrN2O3S.
What is the molecular weight of AP-853/41269935?
The molecular weight of AP-853/41269935 is 408.01 g/mol.
Where can I buy AP-853/41269935?
You can request a quote for AP-853/41269935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/41269935?
Yes, KEHONG BIO provides custom synthesis services for AP-853/41269935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.