![6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one structure](/static/products/893/893913-72-9.png)
6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one
TL;DR: 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one (CAS 893913-72-9) is a chemical compound with molecular formula C17H12ClN5O and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: 6-benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one, 6-benzyl-3-(4-chlorophenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, F1876-0222, 6-benzyl-3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-benzyl-3-(4-chlorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C17H12ClN5O |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 2.6789 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.07303 |
| Heavy Atoms | 24 |
| Complexity | 1053.9861 |
Chemical Identifiers
| CAS Number | 893913-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)Cl |
Product Overview
6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one (CAS 893913-72-9), with molecular formula C17H12ClN5O and molecular weight 337.07 g/mol. IUPAC: 6-benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one
Property Insights of 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one
The XLogP value of 2.6789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one has 0 hydrogen bond donor(s) and 4 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 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one?
The CAS number of 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one is 893913-72-9.
What is the molecular formula of 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one is C17H12ClN5O.
What is the molecular weight of 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one is 337.07 g/mol.
Where can I buy 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.