AP-828/42182252
TL;DR: AP-828/42182252 (CAS 694497-32-0) is a chemical compound with molecular formula C20H15Cl2N5OS and molecular weight 443.04 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-naphthalen-2-ylacetamide
Also Known As: AP-828/42182252, 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide, 2-{[4-amino-5-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-2-yl)acetamide, 2-{[4-amino-5-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-naphthyl)acetamide, 2-{[4-AMINO-5-(3,4-DICHLOROPHENYL)-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(NAPHTHALEN-2-YL)ACETAMIDE
| Molecular Formula | C20H15Cl2N5OS |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 4.8497 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.03745 |
| Heavy Atoms | 29 |
| Complexity | 1210.6786 |
Chemical Identifiers
| CAS Number | 694497-32-0 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=NN=C(N3N)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
AP-828/42182252 (CAS 694497-32-0), with molecular formula C20H15Cl2N5OS and molecular weight 443.04 g/mol. IUPAC: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide.
Chemical Property Profile of AP-828/42182252
Property Insights of AP-828/42182252
The XLogP value of 4.8497 indicates that AP-828/42182252 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-828/42182252. Following Lipinski's Rule of Five, AP-828/42182252 has 2 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-828/42182252?
The CAS number of AP-828/42182252 is 694497-32-0.
What is the molecular formula of AP-828/42182252?
The molecular formula of AP-828/42182252 is C20H15Cl2N5OS.
What is the molecular weight of AP-828/42182252?
The molecular weight of AP-828/42182252 is 443.04 g/mol.
Where can I buy AP-828/42182252?
You can request a quote for AP-828/42182252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/42182252?
Yes, KEHONG BIO provides custom synthesis services for AP-828/42182252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.