Propyl 4-hydroxy-3-methoxyphenylacetate
TL;DR: Propyl 4-hydroxy-3-methoxyphenylacetate (CAS 52744-26-0) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Also Known As: Propyl 4-hydroxy-3-methoxyphenylacetate, Homovanillic Acid Propyl Ester, propyl 2-(4-hydroxy-3-methoxyphenyl)acetate, Homovanillinsaure-n-propylester, propyl(4-hydroxy-3-methoxyphenyl)acetate
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 52744-26-0 |
|---|---|
| SMILES | CCCOC(=O)CC1=CC(=C(C=C1)O)OC |
| InChIKey | SYEBQVUZYCJAEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 4-hydroxy-3-methoxyphenylacetate (CAS 52744-26-0), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: propyl 2-(4-hydroxy-3-methoxyphenyl)acetate.
Chemical Property Profile of Propyl 4-hydroxy-3-methoxyphenylacetate
Property Insights of Propyl 4-hydroxy-3-methoxyphenylacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 4-hydroxy-3-methoxyphenylacetate. With a topological polar surface area (TPSA) of 55.8 Ų, Propyl 4-hydroxy-3-methoxyphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 4-hydroxy-3-methoxyphenylacetate 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 Propyl 4-hydroxy-3-methoxyphenylacetate?
The CAS number of Propyl 4-hydroxy-3-methoxyphenylacetate is 52744-26-0.
What is the molecular formula of Propyl 4-hydroxy-3-methoxyphenylacetate?
The molecular formula of Propyl 4-hydroxy-3-methoxyphenylacetate is C12H16O4.
What is the molecular weight of Propyl 4-hydroxy-3-methoxyphenylacetate?
The molecular weight of Propyl 4-hydroxy-3-methoxyphenylacetate is 224.10 g/mol.
Where can I buy Propyl 4-hydroxy-3-methoxyphenylacetate?
You can request a quote for Propyl 4-hydroxy-3-methoxyphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-hydroxy-3-methoxyphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-hydroxy-3-methoxyphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.