1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester
TL;DR: 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester (CAS 118971-61-2) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-en-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: DDCAE, 1,1-Dimethylallyl caffeate, 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester, J1.703.654H, 2-Methylbut-3-en-2-yl 3-(3,4-dihydroxyphenyl)acrylate
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.6188 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 486.5674 |
Chemical Identifiers
| CAS Number | 118971-61-2 |
|---|---|
| SMILES | CC(C)(C=C)OC(=O)/C=C/C1=CC(=C(C=C1)O)O |
Product Overview
1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester (CAS 118971-61-2), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 2-methylbut-3-en-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester
Property Insights of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester
The XLogP value of 2.6188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester. Following Lipinski's Rule of Five, 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester 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
Frequently Asked Questions
What is the CAS number of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester?
The CAS number of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester is 118971-61-2.
What is the molecular formula of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester?
The molecular formula of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester is C14H16O4.
What is the molecular weight of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester?
The molecular weight of 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester is 248.10 g/mol.
Where can I buy 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester?
You can request a quote for 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylallyl-3',4'-dihydroxycinnamic acid ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.