Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester
TL;DR: Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester (CAS 18672-07-6) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-cyanophenoxy)-2-methylpropanoate
Also Known As: Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate, Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester, ethyl (4-cyanophenoxy)-2-methylpropionate, ethyl 2-(4-cyanophenoxy)-2-methylpropionate, Ethyl 2-[(4-cyanophenyl)oxy]-2-methylpropanoate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 18672-07-6 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C#N |
| InChIKey | CXAFOUVBWLSQHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester (CAS 18672-07-6), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: ethyl 2-(4-cyanophenoxy)-2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester
Property Insights of Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 59.3 Ų, Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl 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-cyanophenoxy)-2-methyl-, ethyl ester?
The CAS number of Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester is 18672-07-6.
What is the molecular formula of Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester?
The molecular formula of Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester is C13H15NO3.
What is the molecular weight of Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester?
The molecular weight of Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester is 233.11 g/mol.
Where can I buy Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester?
You can request a quote for Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl 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-cyanophenoxy)-2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.