5-Methyl-1,2-oxazole-4-carboxylate
TL;DR: 5-Methyl-1,2-oxazole-4-carboxylate (CAS 42831-50-5) is a chemical compound with molecular formula C5H4NO3- and molecular weight 126.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2-oxazole-4-carboxylate
Also Known As: 5-Methylisoxazole-4-carboxylic acid
| Molecular Formula | C5H4NO3- |
|---|---|
| Molecular Weight | 126.02 g/mol |
| LogP | -0.65348 |
| Topological Polar Surface Area | 66.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.01912 |
| Heavy Atoms | 9 |
| Complexity | 227.86191 |
Chemical Identifiers
| CAS Number | 42831-50-5 |
|---|---|
| SMILES | CC1=C(C=NO1)C(=O)[O-] |
Product Overview
5-Methyl-1,2-oxazole-4-carboxylate (CAS 42831-50-5), with molecular formula C5H4NO3- and molecular weight 126.02 g/mol. IUPAC: 5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 5-Methyl-1,2-oxazole-4-carboxylate
Property Insights of 5-Methyl-1,2-oxazole-4-carboxylate
The XLogP value of -0.65348 indicates that 5-Methyl-1,2-oxazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, 5-Methyl-1,2-oxazole-4-carboxylate 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 5-Methyl-1,2-oxazole-4-carboxylate?
The CAS number of 5-Methyl-1,2-oxazole-4-carboxylate is 42831-50-5.
What is the molecular formula of 5-Methyl-1,2-oxazole-4-carboxylate?
The molecular formula of 5-Methyl-1,2-oxazole-4-carboxylate is C5H4NO3-.
What is the molecular weight of 5-Methyl-1,2-oxazole-4-carboxylate?
The molecular weight of 5-Methyl-1,2-oxazole-4-carboxylate is 126.02 g/mol.
Where can I buy 5-Methyl-1,2-oxazole-4-carboxylate?
You can request a quote for 5-Methyl-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 5-Methyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.