![N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide structure](/static/products/847/847382-00-7.png)
N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide
TL;DR: N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide (CAS 847382-00-7) is a chemical compound with molecular formula C24H26N6O4 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
Also Known As: N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[(4-methylphenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
| Molecular Formula | C24H26N6O4 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 1.72082 |
| Topological Polar Surface Area | 113.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.20154 |
| Heavy Atoms | 34 |
| Complexity | 1360.3986 |
Chemical Identifiers
| CAS Number | 847382-00-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NCCC4=CC(=C(C=C4)OC)OC)N=N2 |
Product Overview
N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide (CAS 847382-00-7), with molecular formula C24H26N6O4 and molecular weight 462.20 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide.
Chemical Property Profile of N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide
Property Insights of N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide
The XLogP value of 1.72082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide. The TPSA of 113.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide has 1 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 N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide?
The CAS number of N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide is 847382-00-7.
What is the molecular formula of N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide?
The molecular formula of N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide is C24H26N6O4.
What is the molecular weight of N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide?
The molecular weight of N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide is 462.20 g/mol.
Where can I buy N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide?
You can request a quote for N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenethyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.