2-Methylpropyl 2-furancarboxylate
TL;DR: 2-Methylpropyl 2-furancarboxylate (CAS 20279-53-2) 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.
2-methylpropyl furan-2-carboxylate
Also Known As: iso-butyl2-furoate, Iso-butyl 2-furoate, gamma-Valerolactone, 2-methylpropyl furan-2-carboxylate, Isobutyl 2-furoate #
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 20279-53-2 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CO1 |
| InChIKey | HREPSLLONKRVKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylpropyl 2-furancarboxylate (CAS 20279-53-2), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 2-methylpropyl furan-2-carboxylate.
Chemical Property Profile of 2-Methylpropyl 2-furancarboxylate
Property Insights of 2-Methylpropyl 2-furancarboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl 2-furancarboxylate. With a topological polar surface area (TPSA) of 39.4 Ų, 2-Methylpropyl 2-furancarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 2-furancarboxylate 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 2-Methylpropyl 2-furancarboxylate?
The CAS number of 2-Methylpropyl 2-furancarboxylate is 20279-53-2.
What is the molecular formula of 2-Methylpropyl 2-furancarboxylate?
The molecular formula of 2-Methylpropyl 2-furancarboxylate is C9H12O3.
What is the molecular weight of 2-Methylpropyl 2-furancarboxylate?
The molecular weight of 2-Methylpropyl 2-furancarboxylate is 168.08 g/mol.
Where can I buy 2-Methylpropyl 2-furancarboxylate?
You can request a quote for 2-Methylpropyl 2-furancarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 2-furancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 2-furancarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.