![6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one structure](/static/products/863/863019-86-7.png)
6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
TL;DR: 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 863019-86-7) is a chemical compound with molecular formula C25H26N6O3 and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one, 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C25H26N6O3 |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 2.4671 |
| Topological Polar Surface Area | 95.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.20663 |
| Heavy Atoms | 34 |
| Complexity | 1338.8462 |
Chemical Identifiers
| CAS Number | 863019-86-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)N=N2 |
Product Overview
6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 863019-86-7), with molecular formula C25H26N6O3 and molecular weight 458.21 g/mol. IUPAC: 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Property Insights of 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
The XLogP value of 2.4671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one. The TPSA of 95.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one 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 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The CAS number of 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 863019-86-7.
What is the molecular formula of 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular formula of 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is C25H26N6O3.
What is the molecular weight of 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular weight of 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 458.21 g/mol.
Where can I buy 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
You can request a quote for 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.