![2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one structure](/static/products/827/827006-49-5.png)
2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
TL;DR: 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one (CAS 827006-49-5) is a chemical compound with molecular formula C17H18N4O4 and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3,4,5-trimethoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-(3,4,5-trimethoxyphenyl)-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one
| Molecular Formula | C17H18N4O4 |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 1.5991 |
| Topological Polar Surface Area | 90.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1328 |
| Heavy Atoms | 25 |
| Complexity | 996.39026 |
Chemical Identifiers
| CAS Number | 827006-49-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC3=NC4=C(CCC4)C(=O)N3N2 |
Product Overview
2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one (CAS 827006-49-5), with molecular formula C17H18N4O4 and molecular weight 342.13 g/mol. IUPAC: 11-(3,4,5-trimethoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Property Insights of 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
The XLogP value of 1.5991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one. The TPSA of 90.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one. Following Lipinski's Rule of Five, 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one 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 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The CAS number of 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is 827006-49-5.
What is the molecular formula of 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The molecular formula of 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is C17H18N4O4.
What is the molecular weight of 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The molecular weight of 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is 342.13 g/mol.
Where can I buy 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
You can request a quote for 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.