Methyl 2-acetoxypropanoate
TL;DR: Methyl 2-acetoxypropanoate (CAS 6944-89-4) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyloxypropanoate
Also Known As: methyl 2-acetoxypropanoate, methyl 2-acetyloxypropanoate, methyl (+)-2-acetoxypropanoate, METHYL 2-(ACETYLOXY)PROPANOATE, 2-Acetoxypropionic acid methyl ester
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 6944-89-4 |
|---|---|
| SMILES | CC(C(=O)OC)OC(=O)C |
| InChIKey | QTFFGYLLUHQSAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-acetoxypropanoate (CAS 6944-89-4), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: methyl 2-acetyloxypropanoate.
Chemical Property Profile of Methyl 2-acetoxypropanoate
Property Insights of Methyl 2-acetoxypropanoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetoxypropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-acetoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-acetoxypropanoate 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 Methyl 2-acetoxypropanoate?
The CAS number of Methyl 2-acetoxypropanoate is 6944-89-4.
What is the molecular formula of Methyl 2-acetoxypropanoate?
The molecular formula of Methyl 2-acetoxypropanoate is C6H10O4.
What is the molecular weight of Methyl 2-acetoxypropanoate?
The molecular weight of Methyl 2-acetoxypropanoate is 146.06 g/mol.
Where can I buy Methyl 2-acetoxypropanoate?
You can request a quote for Methyl 2-acetoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.