A3447/0146349
TL;DR: A3447/0146349 (CAS 517869-18-0) is a chemical compound with molecular formula C21H23FN6OS and molecular weight 426.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Also Known As: A3447/0146349, 2-{[4-ethyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazino]-1-ethanone, 1-{[(4-ethyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)thio]acetyl}-4-(4-fluorophenyl)piperazine, 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
| Molecular Formula | C21H23FN6OS |
|---|---|
| Molecular Weight | 426.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.16382 |
| Heavy Atoms | 30 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 517869-18-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=NC=C4 |
| InChIKey | JZQMVTHPOQUPLY-UHFFFAOYSA-N |
Product Overview
A3447/0146349 (CAS 517869-18-0), with molecular formula C21H23FN6OS and molecular weight 426.16 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
Chemical Property Profile of A3447/0146349
Property Insights of A3447/0146349
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3447/0146349. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A3447/0146349. Following Lipinski's Rule of Five, A3447/0146349 has 0 hydrogen bond donor(s) and 7 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 A3447/0146349?
The CAS number of A3447/0146349 is 517869-18-0.
What is the molecular formula of A3447/0146349?
The molecular formula of A3447/0146349 is C21H23FN6OS.
What is the molecular weight of A3447/0146349?
The molecular weight of A3447/0146349 is 426.16 g/mol.
Where can I buy A3447/0146349?
You can request a quote for A3447/0146349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3447/0146349?
Yes, KEHONG BIO provides custom synthesis services for A3447/0146349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.