Ethyl 5-amino-3-methylisothiazole-4-carboxylate
TL;DR: Ethyl 5-amino-3-methylisothiazole-4-carboxylate (CAS 34859-65-9) is a chemical compound with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
Also Known As: ethyl 5-amino-3-methylisothiazole-4-carboxylate, Maybridge1_004847, ethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate, ART-CHEM-BB B014678, Ethyl5-amino-3-methylisothiazole-4-carboxylate
| Molecular Formula | C7H10N2O2S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 1.21042 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.0463 |
| Heavy Atoms | 12 |
| Complexity | 276.09653 |
Chemical Identifiers
| CAS Number | 34859-65-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=C1C)N |
Product Overview
Ethyl 5-amino-3-methylisothiazole-4-carboxylate (CAS 34859-65-9), with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol. IUPAC: ethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-3-methylisothiazole-4-carboxylate
Property Insights of Ethyl 5-amino-3-methylisothiazole-4-carboxylate
The XLogP value of 1.21042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-3-methylisothiazole-4-carboxylate. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-3-methylisothiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-3-methylisothiazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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-amino-3-methylisothiazole-4-carboxylate?
The CAS number of Ethyl 5-amino-3-methylisothiazole-4-carboxylate is 34859-65-9.
What is the molecular formula of Ethyl 5-amino-3-methylisothiazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-3-methylisothiazole-4-carboxylate is C7H10N2O2S.
What is the molecular weight of Ethyl 5-amino-3-methylisothiazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-3-methylisothiazole-4-carboxylate is 186.05 g/mol.
Where can I buy Ethyl 5-amino-3-methylisothiazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-3-methylisothiazole-4-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-amino-3-methylisothiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-3-methylisothiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.