Butyl 2-thenoate
TL;DR: Butyl 2-thenoate (CAS 56053-84-0) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl thiophene-2-carboxylate
Also Known As: Butyl 2-thenoate, butyl thiophene-2-carboxylate, Butyl 2-thiophenecarboxylate, Butyl 2-thiophenecarboxylate #, n-butyl thiophene-2-carboxylate
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 56053-84-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CS1 |
| InChIKey | VUSZPSYSKPXZQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-thenoate (CAS 56053-84-0), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: butyl thiophene-2-carboxylate.
Chemical Property Profile of Butyl 2-thenoate
Property Insights of Butyl 2-thenoate
The XLogP value of 3.2 indicates that Butyl 2-thenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Butyl 2-thenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-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 Butyl 2-thenoate?
The CAS number of Butyl 2-thenoate is 56053-84-0.
What is the molecular formula of Butyl 2-thenoate?
The molecular formula of Butyl 2-thenoate is C9H12O2S.
What is the molecular weight of Butyl 2-thenoate?
The molecular weight of Butyl 2-thenoate is 184.06 g/mol.
Where can I buy Butyl 2-thenoate?
You can request a quote for Butyl 2-thenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-thenoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-thenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.