Isopropyl-p-methoxycinnamate
TL;DR: Isopropyl-p-methoxycinnamate (CAS 5466-76-2) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-(4-methoxyphenyl)prop-2-enoate
Also Known As: Isopropyl p-methoxycinnamate, isopropyl-p-methoxycinnamate, propan-2-yl 3-(4-methoxyphenyl)prop-2-enoate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 5466-76-2 |
|---|---|
| SMILES | CC(C)OC(=O)C=CC1=CC=C(C=C1)OC |
| InChIKey | XATKDVHSLQMHSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl-p-methoxycinnamate (CAS 5466-76-2), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: propan-2-yl 3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Isopropyl-p-methoxycinnamate
Property Insights of Isopropyl-p-methoxycinnamate
The XLogP value of 3.0 indicates that Isopropyl-p-methoxycinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Isopropyl-p-methoxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl-p-methoxycinnamate has 0 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 Isopropyl-p-methoxycinnamate?
The CAS number of Isopropyl-p-methoxycinnamate is 5466-76-2.
What is the molecular formula of Isopropyl-p-methoxycinnamate?
The molecular formula of Isopropyl-p-methoxycinnamate is C13H16O3.
What is the molecular weight of Isopropyl-p-methoxycinnamate?
The molecular weight of Isopropyl-p-methoxycinnamate is 220.11 g/mol.
Where can I buy Isopropyl-p-methoxycinnamate?
You can request a quote for Isopropyl-p-methoxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl-p-methoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl-p-methoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.