3-Methylbutyl 2-furoate
TL;DR: 3-Methylbutyl 2-furoate (CAS 615-12-3) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl furan-2-carboxylate
Also Known As: 3-Methylbutyl 2-furoate, Isopentyl furan-2-carboxylate, Isoamyl 2-Furoate, 3-methylbutyl furan-2-carboxylate, 2-Furancarboxylic Acid Isoamyl Ester
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 615-12-3 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=CO1 |
| InChIKey | FPBZWZKAUPNMMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbutyl 2-furoate (CAS 615-12-3), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 3-methylbutyl furan-2-carboxylate.
Chemical Property Profile of 3-Methylbutyl 2-furoate
Property Insights of 3-Methylbutyl 2-furoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl 2-furoate. With a topological polar surface area (TPSA) of 39.4 Ų, 3-Methylbutyl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 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 3-Methylbutyl 2-furoate?
The CAS number of 3-Methylbutyl 2-furoate is 615-12-3.
What is the molecular formula of 3-Methylbutyl 2-furoate?
The molecular formula of 3-Methylbutyl 2-furoate is C10H14O3.
What is the molecular weight of 3-Methylbutyl 2-furoate?
The molecular weight of 3-Methylbutyl 2-furoate is 182.09 g/mol.
Where can I buy 3-Methylbutyl 2-furoate?
You can request a quote for 3-Methylbutyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.