![Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate structure](/static/products/888/888420-16-4.png)
Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate
TL;DR: Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate (CAS 888420-16-4) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate
Also Known As: AB00676630-01, F1876-0662, ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate, ethyl 3-oxo-4-(7-oxo-3-(m-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)butanoate, ethyl 4-[3-(3-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 0.80792 |
| Topological Polar Surface Area | 108.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 1037.0544 |
Chemical Identifiers
| CAS Number | 888420-16-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC=CC(=C3)C |
Product Overview
Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate (CAS 888420-16-4), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate
Property Insights of Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate
The XLogP value of 0.80792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate. The TPSA of 108.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate has 0 hydrogen bond donor(s) and 7 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 Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate?
The CAS number of Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate is 888420-16-4.
What is the molecular formula of Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate?
The molecular formula of Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate is C17H17N5O4.
What is the molecular weight of Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate?
The molecular weight of Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate is 355.13 g/mol.
Where can I buy Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate?
You can request a quote for Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.