Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate
TL;DR: Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate (CAS 6958-50-5) is a chemical compound with molecular formula C10H13N3O3S2 and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-methyl-3-oxobutanoate
Also Known As: Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate, Ethyl 2-(4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate, ethyl 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-met, ethyl 2-[4,6-bis(sulfanyl)-1,3,5-triazin-2-yl]-2-methyl-3-oxo-butanoate, ethyl 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-methyl-3-oxobutanoate
| Molecular Formula | C10H13N3O3S2 |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 1.60658 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.03983 |
| Heavy Atoms | 18 |
| Complexity | 564.271 |
Chemical Identifiers
| CAS Number | 6958-50-5 |
|---|---|
| SMILES | CCOC(=O)C(C)(C1=NC(=S)NC(=S)N1)C(=O)C |
Product Overview
Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate (CAS 6958-50-5), with molecular formula C10H13N3O3S2 and molecular weight 287.04 g/mol. IUPAC: ethyl 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-methyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate
Property Insights of Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate
The XLogP value of 1.60658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate has 2 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 Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate?
The CAS number of Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate is 6958-50-5.
What is the molecular formula of Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate?
The molecular formula of Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate is C10H13N3O3S2.
What is the molecular weight of Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate?
The molecular weight of Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate is 287.04 g/mol.
Where can I buy Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate?
You can request a quote for Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-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 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4,6-dimercapto-1,3,5-triazin-2-yl)-2-methyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.