Diethyl 4-aminoisothiazole-3,5-dicarboxylate
TL;DR: Diethyl 4-aminoisothiazole-3,5-dicarboxylate (CAS 72632-87-2) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate
Also Known As: Diethyl 4-aminoisothiazole-3,5-dicarboxylate, ZERO/008010, 3,5-diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate, diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate, 4-Amino-3,5-di(ethoxycarbonyl)isothiazole
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 1.0787 |
| Topological Polar Surface Area | 91.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 366.7133 |
Chemical Identifiers
| CAS Number | 72632-87-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NS1)C(=O)OCC)N |
Product Overview
Diethyl 4-aminoisothiazole-3,5-dicarboxylate (CAS 72632-87-2), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate.
Chemical Property Profile of Diethyl 4-aminoisothiazole-3,5-dicarboxylate
Property Insights of Diethyl 4-aminoisothiazole-3,5-dicarboxylate
The XLogP value of 1.0787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-aminoisothiazole-3,5-dicarboxylate. The TPSA of 91.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-aminoisothiazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 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 Diethyl 4-aminoisothiazole-3,5-dicarboxylate?
The CAS number of Diethyl 4-aminoisothiazole-3,5-dicarboxylate is 72632-87-2.
What is the molecular formula of Diethyl 4-aminoisothiazole-3,5-dicarboxylate?
The molecular formula of Diethyl 4-aminoisothiazole-3,5-dicarboxylate is C9H12N2O4S.
What is the molecular weight of Diethyl 4-aminoisothiazole-3,5-dicarboxylate?
The molecular weight of Diethyl 4-aminoisothiazole-3,5-dicarboxylate is 244.05 g/mol.
Where can I buy Diethyl 4-aminoisothiazole-3,5-dicarboxylate?
You can request a quote for Diethyl 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 Diethyl 4-aminoisothiazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-aminoisothiazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.