Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
TL;DR: Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate (CAS 6650-94-8) is a chemical compound with molecular formula C10H13NO5 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
Also Known As: diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate, Diethyl 2-methyloxazole-4,5-dicarboxylate, 2-methyl-oxazole-4,5-dicarboxylic acid diethyl ester, 4,5-Oxazoledicarboxylicacid, 2-methyl-, 4,5-diethyl ester, Diethyl-2-methyloxazole-4,5-dicarboxylate
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 6650-94-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=N1)C)C(=O)OCC |
| InChIKey | XHUNSASFFDEEIQ-UHFFFAOYSA-N |
Product Overview
Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate (CAS 6650-94-8), with molecular formula C10H13NO5 and molecular weight 227.08 g/mol. IUPAC: diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
Property Insights of Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 6 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 Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
The CAS number of Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate is 6650-94-8.
What is the molecular formula of Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
The molecular formula of Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate is C10H13NO5.
What is the molecular weight of Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
The molecular weight of Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate is 227.08 g/mol.
Where can I buy Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
You can request a quote for Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.