Methyl 3-hydroxy-5-methylthiophene-2-carboxylate
TL;DR: Methyl 3-hydroxy-5-methylthiophene-2-carboxylate (CAS 5556-22-9) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-5-methylthiophene-2-carboxylate
Also Known As: Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate, methyl 3-hydroxy-5-methylthiophene-2-carboxylate, Tetradecyliodide, 3-Hydroxy-5-methyl-2-thiophenecarboxylic acid methyl ester, Methyl3-hydroxy-5-methyl-2-thiophenecarboxylate
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 5556-22-9 |
|---|---|
| SMILES | CC1=CC(=C(S1)C(=O)OC)O |
| InChIKey | PLTCMJBEOCSRII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxy-5-methylthiophene-2-carboxylate (CAS 5556-22-9), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: methyl 3-hydroxy-5-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-hydroxy-5-methylthiophene-2-carboxylate
Property Insights of Methyl 3-hydroxy-5-methylthiophene-2-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-5-methylthiophene-2-carboxylate. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-hydroxy-5-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-hydroxy-5-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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-hydroxy-5-methylthiophene-2-carboxylate?
The CAS number of Methyl 3-hydroxy-5-methylthiophene-2-carboxylate is 5556-22-9.
What is the molecular formula of Methyl 3-hydroxy-5-methylthiophene-2-carboxylate?
The molecular formula of Methyl 3-hydroxy-5-methylthiophene-2-carboxylate is C7H8O3S.
What is the molecular weight of Methyl 3-hydroxy-5-methylthiophene-2-carboxylate?
The molecular weight of Methyl 3-hydroxy-5-methylthiophene-2-carboxylate is 172.02 g/mol.
Where can I buy Methyl 3-hydroxy-5-methylthiophene-2-carboxylate?
You can request a quote for Methyl 3-hydroxy-5-methylthiophene-2-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-hydroxy-5-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-5-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.