3-Methylbutyl 3-(3-furyl)acrylate
TL;DR: 3-Methylbutyl 3-(3-furyl)acrylate (CAS 93859-17-7) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 3-(furan-3-yl)prop-2-enoate
Also Known As: 3-Methylbutyl 3-(3-furyl)acrylate, 3-methylbutyl 3-(furan-3-yl)prop-2-enoate, 3-Methylbutyl 3-(3-furanyl)-2-propenoate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.8821 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 309.61804 |
Chemical Identifiers
| CAS Number | 93859-17-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)C=CC1=COC=C1 |
Product Overview
3-Methylbutyl 3-(3-furyl)acrylate (CAS 93859-17-7), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-methylbutyl 3-(furan-3-yl)prop-2-enoate.
Chemical Property Profile of 3-Methylbutyl 3-(3-furyl)acrylate
Property Insights of 3-Methylbutyl 3-(3-furyl)acrylate
The XLogP value of 2.8821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl 3-(3-furyl)acrylate. With a topological polar surface area (TPSA) of 39.44 Ų, 3-Methylbutyl 3-(3-furyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 3-(3-furyl)acrylate 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 3-(3-furyl)acrylate?
The CAS number of 3-Methylbutyl 3-(3-furyl)acrylate is 93859-17-7.
What is the molecular formula of 3-Methylbutyl 3-(3-furyl)acrylate?
The molecular formula of 3-Methylbutyl 3-(3-furyl)acrylate is C12H16O3.
What is the molecular weight of 3-Methylbutyl 3-(3-furyl)acrylate?
The molecular weight of 3-Methylbutyl 3-(3-furyl)acrylate is 208.11 g/mol.
Where can I buy 3-Methylbutyl 3-(3-furyl)acrylate?
You can request a quote for 3-Methylbutyl 3-(3-furyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 3-(3-furyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 3-(3-furyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.