乙二酸二甲酯
TL;DR: 乙二酸二甲酯 (CAS 553-90-2) is a chemical compound with molecular formula C4H6O4 and molecular weight 118.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙二酸二甲酯
dimethyl oxalate
Also Known As: Dimethyl oxalate, METHYL OXALATE, Dimethyloxalate, Oxalic acid dimethyl ester, Ethanedioic acid, dimethyl ester
| Molecular Formula | C4H6O4 |
|---|---|
| Molecular Weight | 118.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.02661 |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
| Boiling Point | 163.5 °C @760 [mm Hg] |
| Density | 1.148 @25 °C |
| Vapor Pressure | 1.14 [mmHg] |
Chemical Identifiers
| CAS Number | 553-90-2 |
|---|---|
| SMILES | COC(=O)C(=O)OC |
| InChIKey | LOMVENUNSWAXEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙二酸二甲酯 (CAS 553-90-2), with molecular formula C4H6O4 and molecular weight 118.03 g/mol. IUPAC: dimethyl oxalate.
Chemical Property Profile of 乙二酸二甲酯
Property Insights of 乙二酸二甲酯
The XLogP value of -0.2 indicates that 乙二酸二甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 乙二酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙二酸二甲酯 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 乙二酸二甲酯?
The CAS number of 乙二酸二甲酯 is 553-90-2.
What is the molecular formula of 乙二酸二甲酯?
The molecular formula of 乙二酸二甲酯 is C4H6O4.
What is the molecular weight of 乙二酸二甲酯?
The molecular weight of 乙二酸二甲酯 is 118.03 g/mol.
Where can I buy 乙二酸二甲酯?
You can request a quote for 乙二酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙二酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 乙二酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.