![ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate structure](/static/products/863/863500-99-6.png)
ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
TL;DR: ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate (CAS 863500-99-6) is a chemical compound with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
Also Known As: ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate, ethyl 4-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate, ethyl 4-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-3-oxobutanoate, ethyl 4-[3-(p-methoxyphenyl)-1,2,3,4,6-pentaaza-3H-inden-7-ylthio]acetoacetate
| Molecular Formula | C17H17N5O4S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 1.8335 |
| Topological Polar Surface Area | 109.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.10013 |
| Heavy Atoms | 27 |
| Complexity | 957.6171 |
Chemical Identifiers
| CAS Number | 863500-99-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)OC |
Product Overview
ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate (CAS 863500-99-6), with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol. IUPAC: ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate.
Chemical Property Profile of ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
Property Insights of ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
The XLogP value of 1.8335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate. The TPSA of 109.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate has 0 hydrogen bond donor(s) and 9 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-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
The CAS number of ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate is 863500-99-6.
What is the molecular formula of ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
The molecular formula of ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate is C17H17N5O4S.
What is the molecular weight of ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
The molecular weight of ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate is 387.10 g/mol.
Where can I buy ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
You can request a quote for ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-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-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.