AP-828/42182261
TL;DR: AP-828/42182261 (CAS 694505-88-9) is a chemical compound with molecular formula C16H11Cl4N5OS and molecular weight 460.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dichlorophenyl)acetamide
Also Known As: AP-828/42182261, 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dichlorophenyl)acetamide, 2-{[4-amino-5-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide, 2-{[4-amino-5-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2,3-dichlorophenyl)acetamide
| Molecular Formula | C16H11Cl4N5OS |
|---|---|
| Molecular Weight | 460.94 g/mol |
| LogP | 5.0033 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.94385 |
| Heavy Atoms | 27 |
| Complexity | 1010.4709 |
Chemical Identifiers
| CAS Number | 694505-88-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AP-828/42182261 (CAS 694505-88-9), with molecular formula C16H11Cl4N5OS and molecular weight 460.94 g/mol. IUPAC: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dichlorophenyl)acetamide.
Chemical Property Profile of AP-828/42182261
Property Insights of AP-828/42182261
The XLogP value of 5.0033 indicates that AP-828/42182261 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/42182261. Following Lipinski's Rule of Five, AP-828/42182261 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-828/42182261?
The CAS number of AP-828/42182261 is 694505-88-9.
What is the molecular formula of AP-828/42182261?
The molecular formula of AP-828/42182261 is C16H11Cl4N5OS.
What is the molecular weight of AP-828/42182261?
The molecular weight of AP-828/42182261 is 460.94 g/mol.
Where can I buy AP-828/42182261?
You can request a quote for AP-828/42182261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/42182261?
Yes, KEHONG BIO provides custom synthesis services for AP-828/42182261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.