AB00122554-01
TL;DR: AB00122554-01 (CAS 433246-19-6) is a chemical compound with molecular formula C21H25N5OS and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide
Also Known As: AB00122554-01, 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide, 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-diethylphenyl)acetamide, AM-879/40825905, 2-((5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide
| Molecular Formula | C21H25N5OS |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 3.9199 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.17798 |
| Heavy Atoms | 28 |
| Complexity | 943.1773 |
Chemical Identifiers
| CAS Number | 433246-19-6 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)N |
Product Overview
AB00122554-01 (CAS 433246-19-6), with molecular formula C21H25N5OS and molecular weight 395.18 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide.
Chemical Property Profile of AB00122554-01
Property Insights of AB00122554-01
The XLogP value of 3.9199 indicates that AB00122554-01 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 AB00122554-01. Following Lipinski's Rule of Five, AB00122554-01 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 AB00122554-01?
The CAS number of AB00122554-01 is 433246-19-6.
What is the molecular formula of AB00122554-01?
The molecular formula of AB00122554-01 is C21H25N5OS.
What is the molecular weight of AB00122554-01?
The molecular weight of AB00122554-01 is 395.18 g/mol.
Where can I buy AB00122554-01?
You can request a quote for AB00122554-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122554-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122554-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.