Methyl thenoate
TL;DR: Methyl thenoate (CAS 5380-42-7) 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-2-carboxylate
Also Known As: Methyl thiophene-2-carboxylate, Methyl thenoate, Methyl 2-thiophenecarboxylate, Thiophenate methyl, Thiophenate-methyl
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 2.0 |
| 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 | 5380-42-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CS1 |
| InChIKey | PGBFYLVIMDQYMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl thenoate (CAS 5380-42-7), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: methyl thiophene-2-carboxylate.
Chemical Property Profile of Methyl thenoate
Property Insights of Methyl thenoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl thenoate. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl thenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl thenoate 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 thenoate?
The CAS number of Methyl thenoate is 5380-42-7.
What is the molecular formula of Methyl thenoate?
The molecular formula of Methyl thenoate is C6H6O2S.
What is the molecular weight of Methyl thenoate?
The molecular weight of Methyl thenoate is 142.01 g/mol.
Where can I buy Methyl thenoate?
You can request a quote for Methyl thenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl thenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl thenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.