![6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one structure](/static/products/893/893938-72-2.png)
6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one
TL;DR: 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one (CAS 893938-72-2) is a chemical compound with molecular formula C18H14ClN5O and molecular weight 351.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: F1876-0674, 6-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one, 6-(4-chlorobenzyl)-3-(m-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C18H14ClN5O |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 2.98732 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.08868 |
| Heavy Atoms | 25 |
| Complexity | 1114.4769 |
Chemical Identifiers
| CAS Number | 893938-72-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=C(C(=O)N(C=N3)CC4=CC=C(C=C4)Cl)N=N2 |
Product Overview
6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one (CAS 893938-72-2), with molecular formula C18H14ClN5O and molecular weight 351.09 g/mol. IUPAC: 6-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one
Property Insights of 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one
The XLogP value of 2.98732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)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-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)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-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one?
The CAS number of 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one is 893938-72-2.
What is the molecular formula of 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one is C18H14ClN5O.
What is the molecular weight of 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one is 351.09 g/mol.
Where can I buy 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)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-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-Chlorophenyl)methyl]-3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.