Methyl-3-ethoxyisothiazole-5-carboxylate
TL;DR: Methyl-3-ethoxyisothiazole-5-carboxylate (CAS 170953-74-9) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethoxy-1,2-thiazole-5-carboxylate
Also Known As: METHYL-3-ETHOXYISOTHIAZOLE-5-CARBOXYLATE, Methyl 3-ethoxy-1,2-thiazole-5-carboxylate, Methyl 3-ethoxyisothiazole-5-carboxylate, 3-Ethoxy-5-isothiazolecarboxylic Acid Methyl Ester
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 1.3284 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 271.37015 |
Chemical Identifiers
| CAS Number | 170953-74-9 |
|---|---|
| SMILES | CCOC1=NSC(=C1)C(=O)OC |
Product Overview
Methyl-3-ethoxyisothiazole-5-carboxylate (CAS 170953-74-9), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: methyl 3-ethoxy-1,2-thiazole-5-carboxylate.
Chemical Property Profile of Methyl-3-ethoxyisothiazole-5-carboxylate
Property Insights of Methyl-3-ethoxyisothiazole-5-carboxylate
The XLogP value of 1.3284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-3-ethoxyisothiazole-5-carboxylate. With a topological polar surface area (TPSA) of 48.42 Ų, Methyl-3-ethoxyisothiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-3-ethoxyisothiazole-5-carboxylate has 0 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 Methyl-3-ethoxyisothiazole-5-carboxylate?
The CAS number of Methyl-3-ethoxyisothiazole-5-carboxylate is 170953-74-9.
What is the molecular formula of Methyl-3-ethoxyisothiazole-5-carboxylate?
The molecular formula of Methyl-3-ethoxyisothiazole-5-carboxylate is C7H9NO3S.
What is the molecular weight of Methyl-3-ethoxyisothiazole-5-carboxylate?
The molecular weight of Methyl-3-ethoxyisothiazole-5-carboxylate is 187.03 g/mol.
Where can I buy Methyl-3-ethoxyisothiazole-5-carboxylate?
You can request a quote for Methyl-3-ethoxyisothiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-3-ethoxyisothiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-3-ethoxyisothiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.