3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
TL;DR: 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid (CAS 22014-01-3) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
Also Known As: 3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID, 3,5-di-t-butyl-4-hydroxycinnamic acid, 3,5-Di-tert-butyl-4-hydroxycinnamic acid, (E)-, 3,5-di-tert.-butyl-4-hydroxycinnamic acid, 3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
| Molecular Formula | C17H24O3 |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.17255 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 22014-01-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)O |
| InChIKey | CTYWXRDQWMRIIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid (CAS 22014-01-3), with molecular formula C17H24O3 and molecular weight 276.17 g/mol. IUPAC: 3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
Property Insights of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
The XLogP value of 4.9 indicates that 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid has 2 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-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid?
The CAS number of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid is 22014-01-3.
What is the molecular formula of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid is C17H24O3.
What is the molecular weight of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid is 276.17 g/mol.
Where can I buy 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.