3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester
TL;DR: 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester (CAS 29417-78-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methoxyphenyl)-2-methylpropanoate
Also Known As: methyl 3-(4-methoxyphenyl)-2-methylpropanoate, J2.558.835E, 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester, 2-Methyl-3-(4-methoxyphenyl)propanoic acid methyl ester, alpha-Methyl-4-methoxybenzenepropanoic acid methyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 29417-78-5 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)OC)C(=O)OC |
| InChIKey | WHARKKWCIIVVCY-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester (CAS 29417-78-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 3-(4-methoxyphenyl)-2-methylpropanoate.
Chemical Property Profile of 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester
Property Insights of 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester 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 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester?
The CAS number of 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester is 29417-78-5.
What is the molecular formula of 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester?
The molecular formula of 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester is C12H16O3.
What is the molecular weight of 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester?
The molecular weight of 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester is 208.11 g/mol.
Where can I buy 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester?
You can request a quote for 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.