![3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione structure](/static/products/858/858760-66-4.png)
3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
TL;DR: 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 858760-66-4) is a chemical compound with molecular formula C19H22N6O5 and molecular weight 414.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
| Molecular Formula | C19H22N6O5 |
|---|---|
| Molecular Weight | 414.17 g/mol |
| LogP | -0.3325 |
| Topological Polar Surface Area | 116.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.16516 |
| Heavy Atoms | 30 |
| Complexity | 1285.2777 |
Chemical Identifiers
| CAS Number | 858760-66-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CCO)C4=CC(=C(C=C4)OC)OC |
Product Overview
3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 858760-66-4), with molecular formula C19H22N6O5 and molecular weight 414.17 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
Property Insights of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
The XLogP value of -0.3325 indicates that 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione has 1 hydrogen bond donor(s) and 8 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 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The CAS number of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 858760-66-4.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular formula of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is C19H22N6O5.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular weight of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 414.17 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
You can request a quote for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.