Isoamyl 3-(2-furan)propionate
TL;DR: Isoamyl 3-(2-furan)propionate (CAS 78958-22-2) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 3-(furan-2-yl)propanoate
Also Known As: Isoamyl 3-(2-furan)propionate, Isoamyl furylpropanoate, Isoamyl 2-furanpropionate, Isoamyl 2-furonpropionate, iso-Amyl furylpropionate
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 78958-22-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCC1=CC=CO1 |
| InChIKey | ZVMWAVZRUZDYMV-UHFFFAOYSA-N |
Product Overview
Isoamyl 3-(2-furan)propionate (CAS 78958-22-2), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 3-methylbutyl 3-(furan-2-yl)propanoate.
Chemical Property Profile of Isoamyl 3-(2-furan)propionate
Property Insights of Isoamyl 3-(2-furan)propionate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl 3-(2-furan)propionate. With a topological polar surface area (TPSA) of 39.4 Ų, Isoamyl 3-(2-furan)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 3-(2-furan)propionate 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 Isoamyl 3-(2-furan)propionate?
The CAS number of Isoamyl 3-(2-furan)propionate is 78958-22-2.
What is the molecular formula of Isoamyl 3-(2-furan)propionate?
The molecular formula of Isoamyl 3-(2-furan)propionate is C12H18O3.
What is the molecular weight of Isoamyl 3-(2-furan)propionate?
The molecular weight of Isoamyl 3-(2-furan)propionate is 210.13 g/mol.
Where can I buy Isoamyl 3-(2-furan)propionate?
You can request a quote for Isoamyl 3-(2-furan)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl 3-(2-furan)propionate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl 3-(2-furan)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.