![3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione structure](/static/products/105/105774-50-3.png)
3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
TL;DR: 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 105774-50-3) is a chemical compound with molecular formula C20H15ClN6O2 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-9-methyl-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione, 3-(4-chlorophenyl)-9-methyl-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
| Molecular Formula | C20H15ClN6O2 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.6327 |
| Topological Polar Surface Area | 88.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.0945 |
| Heavy Atoms | 29 |
| Complexity | 1383.0066 |
Chemical Identifiers
| CAS Number | 105774-50-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 105774-50-3), with molecular formula C20H15ClN6O2 and molecular weight 406.09 g/mol. IUPAC: 3-(4-chlorophenyl)-9-methyl-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
Property Insights of 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
The XLogP value of 2.6327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione. The TPSA of 88.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione has 1 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 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The CAS number of 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 105774-50-3.
What is the molecular formula of 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular formula of 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is C20H15ClN6O2.
What is the molecular weight of 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular weight of 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 406.09 g/mol.
Where can I buy 3-(4-chlorophenyl)-9-methyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
You can request a quote for 3-(4-chlorophenyl)-9-methyl-1-phenyl-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-(4-chlorophenyl)-9-methyl-1-phenyl-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-(4-chlorophenyl)-9-methyl-1-phenyl-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.