![1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione structure](/static/products/3092/309289-97-2.webp)
1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
TL;DR: 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 309289-97-2) is a chemical compound with molecular formula C22H19ClN6O2 and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione, F0908-1407, 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, A2162/0090816, 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
| Molecular Formula | C22H19ClN6O2 |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 2.5116 |
| Topological Polar Surface Area | 77.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.1258 |
| Heavy Atoms | 31 |
| Complexity | 1448.1256 |
Chemical Identifiers
| CAS Number | 309289-97-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 309289-97-2), with molecular formula C22H19ClN6O2 and molecular weight 434.13 g/mol. IUPAC: 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
Property Insights of 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
The XLogP value of 2.5116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione. The TPSA of 77.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-(4-chlorophenyl)-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, 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione has 0 hydrogen bond donor(s) and 5 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 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The CAS number of 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 309289-97-2.
What is the molecular formula of 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular formula of 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is C22H19ClN6O2.
What is the molecular weight of 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular weight of 1-benzyl-3-(4-chlorophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 434.13 g/mol.
Where can I buy 1-benzyl-3-(4-chlorophenyl)-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 1-benzyl-3-(4-chlorophenyl)-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 1-benzyl-3-(4-chlorophenyl)-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 1-benzyl-3-(4-chlorophenyl)-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.