Butyl 3-(3,4-dihydroxyphenyl)acrylate
TL;DR: Butyl 3-(3,4-dihydroxyphenyl)acrylate (CAS 142234-81-9) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Butyl Caffeate, Butyl 3-(3,4-dihydroxyphenyl)acrylate, Caffeic acid butyl, E-Caffeic acid n-butyl ester, caffeic acid butyl ester
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.4543 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 409.88052 |
Chemical Identifiers
| CAS Number | 142234-81-9 |
|---|---|
| SMILES | CCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O |
Product Overview
Butyl 3-(3,4-dihydroxyphenyl)acrylate (CAS 142234-81-9), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Butyl 3-(3,4-dihydroxyphenyl)acrylate
Property Insights of Butyl 3-(3,4-dihydroxyphenyl)acrylate
The XLogP value of 2.4543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-(3,4-dihydroxyphenyl)acrylate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 3-(3,4-dihydroxyphenyl)acrylate. Following Lipinski's Rule of Five, Butyl 3-(3,4-dihydroxyphenyl)acrylate 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 Butyl 3-(3,4-dihydroxyphenyl)acrylate?
The CAS number of Butyl 3-(3,4-dihydroxyphenyl)acrylate is 142234-81-9.
What is the molecular formula of Butyl 3-(3,4-dihydroxyphenyl)acrylate?
The molecular formula of Butyl 3-(3,4-dihydroxyphenyl)acrylate is C13H16O4.
What is the molecular weight of Butyl 3-(3,4-dihydroxyphenyl)acrylate?
The molecular weight of Butyl 3-(3,4-dihydroxyphenyl)acrylate is 236.10 g/mol.
Where can I buy Butyl 3-(3,4-dihydroxyphenyl)acrylate?
You can request a quote for Butyl 3-(3,4-dihydroxyphenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-(3,4-dihydroxyphenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-(3,4-dihydroxyphenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.