Isopropyl methoxycinnamate
TL;DR: Isopropyl methoxycinnamate (CAS 53484-51-8) 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 (E)-3-(4-methoxyphenyl)prop-2-enoate
Also Known As: Isopropyl p-methoxycinnamate, isopropyl methoxycinnamate, Isopropyl (E)-p-methoxycinnamate, Isopropylp-methoxycinnamate, Isopropyl p- methoxycinnamate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.66 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 363.269 |
Chemical Identifiers
| CAS Number | 53484-51-8 |
|---|---|
| SMILES | CC(C)OC(=O)/C=C/C1=CC=C(C=C1)OC |
Product Overview
Isopropyl methoxycinnamate (CAS 53484-51-8), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: propan-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Isopropyl methoxycinnamate
Property Insights of Isopropyl methoxycinnamate
The XLogP value of 2.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl methoxycinnamate. With a topological polar surface area (TPSA) of 35.53 Ų, Isopropyl methoxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 methoxycinnamate?
The CAS number of Isopropyl methoxycinnamate is 53484-51-8.
What is the molecular formula of Isopropyl methoxycinnamate?
The molecular formula of Isopropyl methoxycinnamate is C13H16O3.
What is the molecular weight of Isopropyl methoxycinnamate?
The molecular weight of Isopropyl methoxycinnamate is 220.11 g/mol.
Where can I buy Isopropyl methoxycinnamate?
You can request a quote for Isopropyl methoxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl methoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl methoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.