ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate
TL;DR: ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate (CAS 874623-34-4) is a chemical compound with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]triazine-6-carboxylate
Also Known As: ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d][1,2,3]triazine-6-carboxylate, ethyl 5-methyl-4-oxo-3H,4H-thieno[2,3-d][1,2,3]triazine-6-carboxylate, ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]triazine-6-carboxylate, ethyl 4-hydroxy-5-methylthieno[2,3-d][1,2,3]triazine-6-carboxylate, ethyl 5-methyl-4-oxo-1H,4H-thieno[2,3-d][1,2,3]triazine-6-carboxylate
| Molecular Formula | C9H9N3O3S |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 0.86472 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.03647 |
| Heavy Atoms | 16 |
| Complexity | 601.5553 |
Chemical Identifiers
| CAS Number | 874623-34-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=NNC2=O)C |
Product Overview
ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate (CAS 874623-34-4), with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol. IUPAC: ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]triazine-6-carboxylate.
Chemical Property Profile of ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate
Property Insights of ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate
The XLogP value of 0.86472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate has 1 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 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate?
The CAS number of ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate is 874623-34-4.
What is the molecular formula of ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate?
The molecular formula of ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate is C9H9N3O3S.
What is the molecular weight of ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate?
The molecular weight of ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate is 239.04 g/mol.
Where can I buy ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate?
You can request a quote for ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-methyl-4-oxo-3H,4H-thieno(2,3-d)(1,2,3)triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.