Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester
TL;DR: Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester (CAS 42019-06-7) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-acetylphenoxy)-2-methylpropanoate
Also Known As: Methyl 2-(4-acetylphenoxy)-2-methylpropanoate, 2-(4-Acetylphenoxy)-2-methylpropanoic acid methyl ester, Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester, METHYL 2-(4-ACETYLPHENOXY)-2-METHYL-PROPANOATE, BRN 2053170
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.2196 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 417.55054 |
Chemical Identifiers
| CAS Number | 42019-06-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)OC |
Product Overview
Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester (CAS 42019-06-7), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: methyl 2-(4-acetylphenoxy)-2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester
Property Insights of Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester
The XLogP value of 2.2196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester has 0 hydrogen bond donor(s) and 4 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 Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester?
The CAS number of Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester is 42019-06-7.
What is the molecular formula of Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester?
The molecular formula of Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester is C13H16O4.
What is the molecular weight of Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester?
The molecular weight of Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester is 236.10 g/mol.
Where can I buy Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester?
You can request a quote for Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.