Acetic acid, ethoxy-, 1-methylethyl ester
TL;DR: Acetic acid, ethoxy-, 1-methylethyl ester (CAS 54063-13-7) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-ethoxyacetate
Also Known As: isopropyl 2-ethoxyacetate, Isopropyl ethoxyacetate, isopropyl2-ethoxyacetate, Isopropyl ethoxyacetate #, propan-2-yl 2-ethoxyacetate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 54063-13-7 |
|---|---|
| SMILES | CCOCC(=O)OC(C)C |
| InChIKey | MAIDELXMDKJUOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, ethoxy-, 1-methylethyl ester (CAS 54063-13-7), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: propan-2-yl 2-ethoxyacetate.
Chemical Property Profile of Acetic acid, ethoxy-, 1-methylethyl ester
Property Insights of Acetic acid, ethoxy-, 1-methylethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ethoxy-, 1-methylethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, ethoxy-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, ethoxy-, 1-methylethyl 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 Acetic acid, ethoxy-, 1-methylethyl ester?
The CAS number of Acetic acid, ethoxy-, 1-methylethyl ester is 54063-13-7.
What is the molecular formula of Acetic acid, ethoxy-, 1-methylethyl ester?
The molecular formula of Acetic acid, ethoxy-, 1-methylethyl ester is C7H14O3.
What is the molecular weight of Acetic acid, ethoxy-, 1-methylethyl ester?
The molecular weight of Acetic acid, ethoxy-, 1-methylethyl ester is 146.09 g/mol.
Where can I buy Acetic acid, ethoxy-, 1-methylethyl ester?
You can request a quote for Acetic acid, ethoxy-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ethoxy-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ethoxy-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.