Butyl 2-furoate
TL;DR: Butyl 2-furoate (CAS 583-33-5) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl furan-2-carboxylate
Also Known As: Butyl 2-furoate, Butyl furoate, butyl furan-2-carboxylate, Butyl2-furoate, Butyl 2-furancarboxylate
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 583-33-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CO1 |
| InChIKey | PAMQYEWNNPDBLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-furoate (CAS 583-33-5), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: butyl furan-2-carboxylate.
Chemical Property Profile of Butyl 2-furoate
Property Insights of Butyl 2-furoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-furoate. With a topological polar surface area (TPSA) of 39.4 Ų, Butyl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-furoate 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-furoate?
The CAS number of Butyl 2-furoate is 583-33-5.
What is the molecular formula of Butyl 2-furoate?
The molecular formula of Butyl 2-furoate is C9H12O3.
What is the molecular weight of Butyl 2-furoate?
The molecular weight of Butyl 2-furoate is 168.08 g/mol.
Where can I buy Butyl 2-furoate?
You can request a quote for Butyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.