4-Allyl-2-methoxyphenyl isobutyrate
TL;DR: 4-Allyl-2-methoxyphenyl isobutyrate (CAS 84604-53-5) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-prop-2-enylphenyl) 2-methylpropanoate
Also Known As: eugenyl isobutyrate, eugenol isobutyrate, 4-Allyl-2-methoxyphenyl isobutyrate, EINECS 283-334-1, (2-methoxy-4-prop-2-enylphenyl) 2-methylpropanoate
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.9851 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 407.9284 |
Chemical Identifiers
| CAS Number | 84604-53-5 |
|---|---|
| SMILES | CC(C)C(=O)OC1=C(C=C(C=C1)CC=C)OC |
Product Overview
4-Allyl-2-methoxyphenyl isobutyrate (CAS 84604-53-5), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: (2-methoxy-4-prop-2-enylphenyl) 2-methylpropanoate.
Chemical Property Profile of 4-Allyl-2-methoxyphenyl isobutyrate
Property Insights of 4-Allyl-2-methoxyphenyl isobutyrate
The XLogP value of 2.9851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Allyl-2-methoxyphenyl isobutyrate. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Allyl-2-methoxyphenyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allyl-2-methoxyphenyl isobutyrate 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 4-Allyl-2-methoxyphenyl isobutyrate?
The CAS number of 4-Allyl-2-methoxyphenyl isobutyrate is 84604-53-5.
What is the molecular formula of 4-Allyl-2-methoxyphenyl isobutyrate?
The molecular formula of 4-Allyl-2-methoxyphenyl isobutyrate is C14H18O3.
What is the molecular weight of 4-Allyl-2-methoxyphenyl isobutyrate?
The molecular weight of 4-Allyl-2-methoxyphenyl isobutyrate is 234.13 g/mol.
Where can I buy 4-Allyl-2-methoxyphenyl isobutyrate?
You can request a quote for 4-Allyl-2-methoxyphenyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyl-2-methoxyphenyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-2-methoxyphenyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.