AN-465/41995500
TL;DR: AN-465/41995500 (CAS 693231-64-0) is a chemical compound with molecular formula C22H26N6OS and molecular weight 422.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: AN-465/41995500, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone, 2-[5-(4-aminophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]-1-(4-phenylpiperazinyl)e than-1-one, 2-{[5-(4-AMINOPHENYL)-4-ETHYL-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-PHENYLPIPERAZIN-1-YL)ETHANONE
| Molecular Formula | C22H26N6OS |
|---|---|
| Molecular Weight | 422.19 g/mol |
| LogP | 2.9881 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.18887 |
| Heavy Atoms | 30 |
| Complexity | 980.6222 |
Chemical Identifiers
| CAS Number | 693231-64-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)N |
Product Overview
AN-465/41995500 (CAS 693231-64-0), with molecular formula C22H26N6OS and molecular weight 422.19 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of AN-465/41995500
Property Insights of AN-465/41995500
The XLogP value of 2.9881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-465/41995500. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41995500. Following Lipinski's Rule of Five, AN-465/41995500 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-465/41995500?
The CAS number of AN-465/41995500 is 693231-64-0.
What is the molecular formula of AN-465/41995500?
The molecular formula of AN-465/41995500 is C22H26N6OS.
What is the molecular weight of AN-465/41995500?
The molecular weight of AN-465/41995500 is 422.19 g/mol.
Where can I buy AN-465/41995500?
You can request a quote for AN-465/41995500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41995500?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41995500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.