4-Methoxyphenyl 2-methylpropanoate
TL;DR: 4-Methoxyphenyl 2-methylpropanoate (CAS 66989-82-0) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2-methylpropanoate
Also Known As: 4-methoxyphenyl 2-methylpropanoate, 4-methoxyphenyl isobutyrate, (4-methoxyphenyl) 2-methylpropanoate, 2-Methylpropionic acid, 4-methoxyphenyl ester, 2-Methylpropanoic acid 4-methoxyphenyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 66989-82-0 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC=C(C=C1)OC |
| InChIKey | WKQWJJFHPKIPDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxyphenyl 2-methylpropanoate (CAS 66989-82-0), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: (4-methoxyphenyl) 2-methylpropanoate.
Chemical Property Profile of 4-Methoxyphenyl 2-methylpropanoate
Property Insights of 4-Methoxyphenyl 2-methylpropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyphenyl 2-methylpropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methoxyphenyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl 2-methylpropanoate 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-Methoxyphenyl 2-methylpropanoate?
The CAS number of 4-Methoxyphenyl 2-methylpropanoate is 66989-82-0.
What is the molecular formula of 4-Methoxyphenyl 2-methylpropanoate?
The molecular formula of 4-Methoxyphenyl 2-methylpropanoate is C11H14O3.
What is the molecular weight of 4-Methoxyphenyl 2-methylpropanoate?
The molecular weight of 4-Methoxyphenyl 2-methylpropanoate is 194.09 g/mol.
Where can I buy 4-Methoxyphenyl 2-methylpropanoate?
You can request a quote for 4-Methoxyphenyl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenyl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.