Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate
TL;DR: Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate (CAS 64686-58-4) is a chemical compound with molecular formula C7H9NO6 and molecular weight 203.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-methyl-1,2,4-dioxazole-3,3-dicarboxylate
Also Known As: dimethyl 5-methyl-1,2,4-dioxazole-3,3-dicarboxylate, Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate, 3H-1,4-Dioxazole-3,3-dicarboxylic acid, 5-methyl-, dimethyl ester, 3H-1,2,4-DIOXAZOLE-3,3-DICARBOXYLICACID, 5-METHYL-, 3,3-DIMETHYL ESTER
| Molecular Formula | C7H9NO6 |
|---|---|
| Molecular Weight | 203.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.04298 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 64686-58-4 |
|---|---|
| SMILES | CC1=NC(OO1)(C(=O)OC)C(=O)OC |
| InChIKey | XDLQAFSBDCTLJO-UHFFFAOYSA-N |
Product Overview
Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate (CAS 64686-58-4), with molecular formula C7H9NO6 and molecular weight 203.04 g/mol. IUPAC: dimethyl 5-methyl-1,2,4-dioxazole-3,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate
Property Insights of Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate?
The CAS number of Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate is 64686-58-4.
What is the molecular formula of Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate?
The molecular formula of Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate is C7H9NO6.
What is the molecular weight of Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate?
The molecular weight of Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate is 203.04 g/mol.
Where can I buy Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate?
You can request a quote for Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.