AP-853/42991450
TL;DR: AP-853/42991450 (CAS 825610-60-4) is a chemical compound with molecular formula C11H9BrFN3OS3 and molecular weight 392.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
Also Known As: AP-853/42991450, N-(4-bromo-2-fluorophenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide, N-(4-bromo-2-fluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
| Molecular Formula | C11H9BrFN3OS3 |
|---|---|
| Molecular Weight | 392.91 g/mol |
| LogP | 3.8924 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.90753 |
| Heavy Atoms | 20 |
| Complexity | 622.7109 |
Chemical Identifiers
| CAS Number | 825610-60-4 |
|---|---|
| SMILES | CSC1=NSC(=N1)SCC(=O)NC2=C(C=C(C=C2)Br)F |
Product Overview
AP-853/42991450 (CAS 825610-60-4), with molecular formula C11H9BrFN3OS3 and molecular weight 392.91 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
Chemical Property Profile of AP-853/42991450
Property Insights of AP-853/42991450
The XLogP value of 3.8924 indicates that AP-853/42991450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AP-853/42991450 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-853/42991450 has 1 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-853/42991450?
The CAS number of AP-853/42991450 is 825610-60-4.
What is the molecular formula of AP-853/42991450?
The molecular formula of AP-853/42991450 is C11H9BrFN3OS3.
What is the molecular weight of AP-853/42991450?
The molecular weight of AP-853/42991450 is 392.91 g/mol.
Where can I buy AP-853/42991450?
You can request a quote for AP-853/42991450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42991450?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42991450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.