Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate
TL;DR: Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate (CAS 67785-76-6) is a chemical compound with molecular formula C6H7NO4 and molecular weight 157.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-3-oxo-1,2-oxazole-4-carboxylate
Also Known As: methyl 5-methyl-3-oxo-1,2-oxazole-4-carboxylate, methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylicacid, 2,3-dihydro-5-methyl-3-oxo-, methyl ester, 4-Isoxazolecarboxylic acid, 2,3-dihydro-5-methyl-3-oxo-, methyl ester (9CI)
| Molecular Formula | C6H7NO4 |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.0375 |
| Heavy Atoms | 11 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 67785-76-6 |
|---|---|
| SMILES | CC1=C(C(=O)NO1)C(=O)OC |
| InChIKey | STBABHQIMJYMBI-UHFFFAOYSA-N |
Product Overview
Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate (CAS 67785-76-6), with molecular formula C6H7NO4 and molecular weight 157.04 g/mol. IUPAC: methyl 5-methyl-3-oxo-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate
Property Insights of Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate has 1 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 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate?
The CAS number of Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate is 67785-76-6.
What is the molecular formula of Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate?
The molecular formula of Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate is C6H7NO4.
What is the molecular weight of Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate?
The molecular weight of Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate is 157.04 g/mol.
Where can I buy Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate?
You can request a quote for Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.