Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
TL;DR: Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 4657-33-4) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Butyl Ferulate, Butyl 4'-hydroxy-3'-methoxycinnamate, butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 4657-33-4 |
|---|---|
| SMILES | CCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC |
| InChIKey | JTQRZRRDNZAHMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 4657-33-4), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Property Insights of Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
The XLogP value of 3.1 indicates that Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has 1 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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The CAS number of Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 4657-33-4.
What is the molecular formula of Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular formula of Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is C14H18O4.
What is the molecular weight of Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular weight of Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 250.12 g/mol.
Where can I buy Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
You can request a quote for Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.