![6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one structure](/static/products/872/872594-59-7.webp)
6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
TL;DR: 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one (CAS 872594-59-7) is a chemical compound with molecular formula C19H16ClN5O3 and molecular weight 397.09418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(2-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: F1876-1356, 6-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-[(2-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one, 6-[(2-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Technical Specifications
| Molecular Formula | C19H16ClN5O3 |
| Molecular Weight | 397.09418 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.09418 Da |
| Heavy Atoms | 28 |
| Complexity | 594.0 |
| SMILES | COC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC4=CC=CC=C4Cl)N=N2)OC |
| InChIKey | CKCCMCQCZGNVDO-UHFFFAOYSA-N |
Chemical Property Profile of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
Property Insights of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
The XLogP value of 3.0 indicates that 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The CAS number of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is 872594-59-7.
What is the molecular formula of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is C19H16ClN5O3.
What is the molecular weight of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is 397.09418 g/mol.
Where can I buy 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
Yes, CoreyChem provides custom synthesis services for 6-[(2-Chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.