![Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate structure](/static/products/863/863019-48-1.png)
Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate
TL;DR: Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate (CAS 863019-48-1) is a chemical compound with molecular formula C20H17N5O3 and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate
Also Known As: F0656-0732, benzyl 2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate, benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate, benzyl 2-(7-oxo-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetate
| Molecular Formula | C20H17N5O3 |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 2.02902 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.13315 |
| Heavy Atoms | 28 |
| Complexity | 1180.1733 |
Chemical Identifiers
| CAS Number | 863019-48-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4)N=N2 |
Product Overview
Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate (CAS 863019-48-1), with molecular formula C20H17N5O3 and molecular weight 375.13 g/mol. IUPAC: benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate.
Chemical Property Profile of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate
Property Insights of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate
The XLogP value of 2.02902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate. Following Lipinski's Rule of Five, Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate 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
Frequently Asked Questions
What is the CAS number of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate?
The CAS number of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate is 863019-48-1.
What is the molecular formula of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate?
The molecular formula of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate is C20H17N5O3.
What is the molecular weight of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate?
The molecular weight of Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate is 375.13 g/mol.
Where can I buy Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate?
You can request a quote for Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.