AP-853/43416418
TL;DR: AP-853/43416418 (CAS 951957-98-5) is a chemical compound with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AP-853/43416418, N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(benzo[c][1,2,5]thiadiazol-4-yl)-2-((5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C18H16N6OS2 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 3.1414 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0827 |
| Heavy Atoms | 27 |
| Complexity | 1075.8575 |
Chemical Identifiers
| CAS Number | 951957-98-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC3=NSN=C32)CC4=CC=CC=C4 |
Product Overview
AP-853/43416418 (CAS 951957-98-5), with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AP-853/43416418
Property Insights of AP-853/43416418
The XLogP value of 3.1414 indicates that AP-853/43416418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/43416418. Following Lipinski's Rule of Five, AP-853/43416418 has 1 hydrogen bond donor(s) and 7 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-853/43416418?
The CAS number of AP-853/43416418 is 951957-98-5.
What is the molecular formula of AP-853/43416418?
The molecular formula of AP-853/43416418 is C18H16N6OS2.
What is the molecular weight of AP-853/43416418?
The molecular weight of AP-853/43416418 is 396.08 g/mol.
Where can I buy AP-853/43416418?
You can request a quote for AP-853/43416418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/43416418?
Yes, KEHONG BIO provides custom synthesis services for AP-853/43416418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.