Methyl diacetate
TL;DR: Methyl diacetate (CAS 628-51-3) is a chemical compound with molecular formula C5H8O4 and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyloxymethyl acetate
Also Known As: Methylene diacetate, Methyl diacetate, Diacetoxymethane, acetyloxymethyl acetate, Methanediol, diacetate
| Molecular Formula | C5H8O4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.04225 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 628-51-3 |
|---|---|
| SMILES | CC(=O)OCOC(=O)C |
| InChIKey | BPGDAMSIGCZZLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl diacetate (CAS 628-51-3), with molecular formula C5H8O4 and molecular weight 132.04 g/mol. IUPAC: acetyloxymethyl acetate.
Chemical Property Profile of Methyl diacetate
Property Insights of Methyl diacetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl diacetate 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 diacetate?
The CAS number of Methyl diacetate is 628-51-3.
What is the molecular formula of Methyl diacetate?
The molecular formula of Methyl diacetate is C5H8O4.
What is the molecular weight of Methyl diacetate?
The molecular weight of Methyl diacetate is 132.04 g/mol.
Where can I buy Methyl diacetate?
You can request a quote for Methyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.