Propanoic acid ethoxymethyl ester
TL;DR: Propanoic acid ethoxymethyl ester (CAS 54078-53-4) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxymethyl propanoate
Also Known As: Ethoxymethyl propionate, ethoxymethyl propanoate, Propanoic acid ethoxymethyl ester, propionic acid ethoxymethyl ester, Propionsaeure-aethoxymethylester
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 54078-53-4 |
|---|---|
| SMILES | CCC(=O)OCOCC |
| InChIKey | GIXDJNPUPVJXBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid ethoxymethyl ester (CAS 54078-53-4), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: ethoxymethyl propanoate.
Chemical Property Profile of Propanoic acid ethoxymethyl ester
Property Insights of Propanoic acid ethoxymethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid ethoxymethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Propanoic acid ethoxymethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid ethoxymethyl 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 Propanoic acid ethoxymethyl ester?
The CAS number of Propanoic acid ethoxymethyl ester is 54078-53-4.
What is the molecular formula of Propanoic acid ethoxymethyl ester?
The molecular formula of Propanoic acid ethoxymethyl ester is C6H12O3.
What is the molecular weight of Propanoic acid ethoxymethyl ester?
The molecular weight of Propanoic acid ethoxymethyl ester is 132.08 g/mol.
Where can I buy Propanoic acid ethoxymethyl ester?
You can request a quote for Propanoic acid ethoxymethyl 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 ethoxymethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid ethoxymethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.