(5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate
TL;DR: (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate (CAS 49622-71-1) is a chemical compound with molecular formula C22H26O3 and molecular weight 338.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: (Z)-2-(1-Butenyl)-3,3-dimethylcyclopropanecarboxylic acid (5-benzyl-3-furyl)methyl ester, Cyclopropanecarboxylic acid, 2-(1-butenyl)-3,3-dimethyl-, (5-benzyl-3-furyl)methyl ester (Z)
| Molecular Formula | C22H26O3 |
|---|---|
| Molecular Weight | 338.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.1882 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 49622-71-1 |
|---|---|
| SMILES | CCC=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3 |
| InChIKey | SGZAKYANXDVQCI-UHFFFAOYSA-N |
Product Overview
(5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate (CAS 49622-71-1), with molecular formula C22H26O3 and molecular weight 338.19 g/mol. IUPAC: (5-benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate
Property Insights of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate
The XLogP value of 5.9 indicates that (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate?
The CAS number of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate is 49622-71-1.
What is the molecular formula of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate?
The molecular formula of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate is C22H26O3.
What is the molecular weight of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate?
The molecular weight of (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate is 338.19 g/mol.
Where can I buy (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate?
You can request a quote for (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (5-Benzylfuran-3-yl)methyl 3-but-1-enyl-2,2-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.