AN-988/40875281
TL;DR: AN-988/40875281 (CAS 487025-84-3) is a chemical compound with molecular formula C21H24N6OS and molecular weight 408.17 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]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: AN-988/40875281, 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone, 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-((5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone, 4-(4-methyl-5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenylamine
| Molecular Formula | C21H24N6OS |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 2.5052 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.17322 |
| Heavy Atoms | 29 |
| Complexity | 964.5962 |
Chemical Identifiers
| CAS Number | 487025-84-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)N |
Product Overview
AN-988/40875281 (CAS 487025-84-3), with molecular formula C21H24N6OS and molecular weight 408.17 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of AN-988/40875281
Property Insights of AN-988/40875281
The XLogP value of 2.5052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/40875281. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40875281. Following Lipinski's Rule of Five, AN-988/40875281 has 1 hydrogen bond donor(s) and 6 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 AN-988/40875281?
The CAS number of AN-988/40875281 is 487025-84-3.
What is the molecular formula of AN-988/40875281?
The molecular formula of AN-988/40875281 is C21H24N6OS.
What is the molecular weight of AN-988/40875281?
The molecular weight of AN-988/40875281 is 408.17 g/mol.
Where can I buy AN-988/40875281?
You can request a quote for AN-988/40875281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40875281?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40875281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.