Isobutyl beta-2-furylacrylate
TL;DR: Isobutyl beta-2-furylacrylate (CAS 68480-18-2) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 3-(furan-2-yl)prop-2-enoate
Also Known As: isobutyl beta-2-furylacrylate, 2-Propenoic acid, 3-(2-furanyl)-, 2-methylpropyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 68480-18-2 |
|---|---|
| SMILES | CC(C)COC(=O)C=CC1=CC=CO1 |
| InChIKey | MXXZZSWRRDGWLK-UHFFFAOYSA-N |
Product Overview
Isobutyl beta-2-furylacrylate (CAS 68480-18-2), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-methylpropyl 3-(furan-2-yl)prop-2-enoate.
Chemical Property Profile of Isobutyl beta-2-furylacrylate
Property Insights of Isobutyl beta-2-furylacrylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl beta-2-furylacrylate. With a topological polar surface area (TPSA) of 39.4 Ų, Isobutyl beta-2-furylacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl beta-2-furylacrylate 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 Isobutyl beta-2-furylacrylate?
The CAS number of Isobutyl beta-2-furylacrylate is 68480-18-2.
What is the molecular formula of Isobutyl beta-2-furylacrylate?
The molecular formula of Isobutyl beta-2-furylacrylate is C11H14O3.
What is the molecular weight of Isobutyl beta-2-furylacrylate?
The molecular weight of Isobutyl beta-2-furylacrylate is 194.09 g/mol.
Where can I buy Isobutyl beta-2-furylacrylate?
You can request a quote for Isobutyl beta-2-furylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl beta-2-furylacrylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl beta-2-furylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.