3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
TL;DR: 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 100884-13-7) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Prenyl caffeate, 3-Methyl-2-butenyl caffeate, Caffeic acid 1,1-dimethylallyl ester, 1,1-Dimethylallyl caffeic acid ester, 2-Methylbut-3-en-2-yl 3-(3,4-dihydroxyphenyl)acrylate
Technical Specifications
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.10486 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.10486 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | CC(=CCOC(=O)C=CC1=CC(=C(C=C1)O)O)C |
| InChIKey | TTYOHMFLCXENHR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Property Insights of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
The XLogP value of 3.0 indicates that 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The CAS number of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is 100884-13-7.
What is the molecular formula of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The molecular formula of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is C14H16O4.
What is the molecular weight of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The molecular weight of 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is 248.10486 g/mol.
Where can I buy 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
You can request a quote for 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for 3-Methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.