AP-853/43405587
TL;DR: AP-853/43405587 (CAS 825599-35-7) is a chemical compound with molecular formula C18H16ClFN4O2S and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AP-853/43405587, N-(3-chloro-4-fluorophenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H16ClFN4O2S |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 4.014 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.06665 |
| Heavy Atoms | 27 |
| Complexity | 979.74554 |
Chemical Identifiers
| CAS Number | 825599-35-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3OC |
Product Overview
AP-853/43405587 (CAS 825599-35-7), with molecular formula C18H16ClFN4O2S and molecular weight 406.07 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AP-853/43405587
Property Insights of AP-853/43405587
The XLogP value of 4.014 indicates that AP-853/43405587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/43405587. Following Lipinski's Rule of Five, AP-853/43405587 has 1 hydrogen bond donor(s) and 5 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-853/43405587?
The CAS number of AP-853/43405587 is 825599-35-7.
What is the molecular formula of AP-853/43405587?
The molecular formula of AP-853/43405587 is C18H16ClFN4O2S.
What is the molecular weight of AP-853/43405587?
The molecular weight of AP-853/43405587 is 406.07 g/mol.
Where can I buy AP-853/43405587?
You can request a quote for AP-853/43405587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/43405587?
Yes, KEHONG BIO provides custom synthesis services for AP-853/43405587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.