Methyl 3-thiophenecarboxylate
TL;DR: Methyl 3-thiophenecarboxylate (CAS 23013-86-7) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl thiophene-3-carboxylate
Also Known As: methyl thiophene-3-carboxylate, Methyl 3-thiophenecarboxylate, methyl-3-thenoate, Methyl 3-thenoate, 3-Thiophenecarboxylic acid, methyl ester
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 23013-86-7 |
|---|---|
| SMILES | COC(=O)C1=CSC=C1 |
| InChIKey | ZTRAEMILTFNZSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-thiophenecarboxylate (CAS 23013-86-7), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: methyl thiophene-3-carboxylate.
Chemical Property Profile of Methyl 3-thiophenecarboxylate
Property Insights of Methyl 3-thiophenecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-thiophenecarboxylate. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-thiophenecarboxylate has 0 hydrogen bond donor(s) and 3 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-thiophenecarboxylate?
The CAS number of Methyl 3-thiophenecarboxylate is 23013-86-7.
What is the molecular formula of Methyl 3-thiophenecarboxylate?
The molecular formula of Methyl 3-thiophenecarboxylate is C6H6O2S.
What is the molecular weight of Methyl 3-thiophenecarboxylate?
The molecular weight of Methyl 3-thiophenecarboxylate is 142.01 g/mol.
Where can I buy Methyl 3-thiophenecarboxylate?
You can request a quote for Methyl 3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.