3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate
TL;DR: 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate (CAS 632291-73-7) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-methyl 4-amino-1,2-thiazole-3,5-dicarboxylate
Also Known As: 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate, 3-O-ethyl 5-O-methyl 4-amino-1,2-thiazole-3,5-dicarboxylate, 4-Amino-isothiazole-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester, Ethyl Methyl 4-amino-1,2-thiazole-3,5-dicarboxylate, 3-ETHYL 5-METHYL 4-AMINO-1,2-THIAZOLE-3,5-DICARBOXYLATE
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 0.6886 |
| Topological Polar Surface Area | 91.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 387.99344 |
Chemical Identifiers
| CAS Number | 632291-73-7 |
|---|---|
| SMILES | CCOC(=O)C1=NSC(=C1N)C(=O)OC |
Product Overview
3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate (CAS 632291-73-7), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: 3-O-ethyl 5-O-methyl 4-amino-1,2-thiazole-3,5-dicarboxylate.
Chemical Property Profile of 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate
Property Insights of 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate
The XLogP value of 0.6886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate. The TPSA of 91.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate has 1 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 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate?
The CAS number of 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate is 632291-73-7.
What is the molecular formula of 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate?
The molecular formula of 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate is C8H10N2O4S.
What is the molecular weight of 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate?
The molecular weight of 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate is 230.04 g/mol.
Where can I buy 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate?
You can request a quote for 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl 5-methyl 4-aminoisothiazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.