![2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone structure](/static/products/863/863453-08-1.png)
2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone
TL;DR: 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 863453-08-1) is a chemical compound with molecular formula C18H19FN6OS and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-piperidin-1-ylethanone
Also Known As: 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone, F0682-0226, 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-piperidin-1-ylethanone, 2-({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
| Molecular Formula | C18H19FN6OS |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.5133 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1325 |
| Heavy Atoms | 27 |
| Complexity | 938.67975 |
Chemical Identifiers
| CAS Number | 863453-08-1 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 863453-08-1), with molecular formula C18H19FN6OS and molecular weight 386.13 g/mol. IUPAC: 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone
Property Insights of 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone
The XLogP value of 2.5133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone has 0 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 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone?
The CAS number of 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone is 863453-08-1.
What is the molecular formula of 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular formula of 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone is C18H19FN6OS.
What is the molecular weight of 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular weight of 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone is 386.13 g/mol.
Where can I buy 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone?
You can request a quote for 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.