Methyl 3-methoxy-5-isothiazolecarboxylate
TL;DR: Methyl 3-methoxy-5-isothiazolecarboxylate (CAS 100241-91-6) is a chemical compound with molecular formula C6H7NO3S and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methoxy-1,2-thiazole-5-carboxylate
Also Known As: methyl 3-methoxy-5-isothiazolecarboxylate, Methyl 3-methoxy-1,2-thiazole-5-carboxylate, 5-Isothiazolecarboxylic acid, 3-methoxy-, methyl ester, 3-methoxy-isothiazole-5-carboxylic acid methyl ester
| Molecular Formula | C6H7NO3S |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 0.9383 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.01466 |
| Heavy Atoms | 11 |
| Complexity | 258.085 |
Chemical Identifiers
| CAS Number | 100241-91-6 |
|---|---|
| SMILES | COC1=NSC(=C1)C(=O)OC |
Product Overview
Methyl 3-methoxy-5-isothiazolecarboxylate (CAS 100241-91-6), with molecular formula C6H7NO3S and molecular weight 173.01 g/mol. IUPAC: methyl 3-methoxy-1,2-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 3-methoxy-5-isothiazolecarboxylate
Property Insights of Methyl 3-methoxy-5-isothiazolecarboxylate
The XLogP value of 0.9383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methoxy-5-isothiazolecarboxylate. With a topological polar surface area (TPSA) of 48.42 Ų, Methyl 3-methoxy-5-isothiazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methoxy-5-isothiazolecarboxylate 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-methoxy-5-isothiazolecarboxylate?
The CAS number of Methyl 3-methoxy-5-isothiazolecarboxylate is 100241-91-6.
What is the molecular formula of Methyl 3-methoxy-5-isothiazolecarboxylate?
The molecular formula of Methyl 3-methoxy-5-isothiazolecarboxylate is C6H7NO3S.
What is the molecular weight of Methyl 3-methoxy-5-isothiazolecarboxylate?
The molecular weight of Methyl 3-methoxy-5-isothiazolecarboxylate is 173.01 g/mol.
Where can I buy Methyl 3-methoxy-5-isothiazolecarboxylate?
You can request a quote for Methyl 3-methoxy-5-isothiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methoxy-5-isothiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methoxy-5-isothiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.