二甲基二碳酸酯
TL;DR: 二甲基二碳酸酯 (CAS 4525-33-1) is a chemical compound with molecular formula C4H6O5 and molecular weight 134.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基二碳酸酯
methoxycarbonyl methyl carbonate
Also Known As: dimethyl dicarbonate, Velcorin, Dimethyl pyrocarbonate, DMDC, Methyl pyrocarbonate
| Molecular Formula | C4H6O5 |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.02153 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
| Melting Point | 15 - 17 °C |
| Boiling Point | BP: 44-47 °C at 5 mm Hg |
| Density | 1.25 mg/L at 25 °C |
| Solubility | Soluble in water with decomposition; miscible with toluene |
| Refractive Index | 1.392 at 20 °C |
Chemical Identifiers
| CAS Number | 4525-33-1 |
|---|---|
| SMILES | COC(=O)OC(=O)OC |
| InChIKey | GZDFHIJNHHMENY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲基二碳酸酯 (CAS 4525-33-1), with molecular formula C4H6O5 and molecular weight 134.02 g/mol. IUPAC: methoxycarbonyl methyl carbonate.
Chemical Property Profile of 二甲基二碳酸酯
Property Insights of 二甲基二碳酸酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲基二碳酸酯. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 二甲基二碳酸酯. Following Lipinski's Rule of Five, 焦碳酸二甲酯 has 0 hydrogen bond donor(s) and 5 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 焦碳酸二甲酯?
The CAS number of 焦碳酸二甲酯 is 4525-33-1.
What is the molecular formula of 焦碳酸二甲酯?
The molecular formula of 焦碳酸二甲酯 is C4H6O5.
What is the molecular weight of 焦碳酸二甲酯?
The molecular weight of 焦碳酸二甲酯 is 134.02 g/mol.
Where can I buy 焦碳酸二甲酯?
You can request a quote for 焦碳酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 焦碳酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 焦碳酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.