5-methyl-1,2-oxazole-3,4-dicarboxylic Acid
TL;DR: 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid (CAS 198135-45-4) is a chemical compound with molecular formula C6H5NO5 and molecular weight 171.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2-oxazole-3,4-dicarboxylic acid
Also Known As: 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid, 5-Methylisoxazole-3,4-dicarboxylic acid, 5-methyl-isoxazole-3,4-dicarboxylic acid, 3,4-Isoxazoledicarboxylicacid,5-methyl-(9CI), 5-methyl-3,4-isoxazoledicarboxylic acid
| Molecular Formula | C6H5NO5 |
|---|---|
| Molecular Weight | 171.02 g/mol |
| LogP | 0.37942 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.01677 |
| Heavy Atoms | 12 |
| Complexity | 339.70767 |
Chemical Identifiers
| CAS Number | 198135-45-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)C(=O)O |
Product Overview
5-methyl-1,2-oxazole-3,4-dicarboxylic Acid (CAS 198135-45-4), with molecular formula C6H5NO5 and molecular weight 171.02 g/mol. IUPAC: 5-methyl-1,2-oxazole-3,4-dicarboxylic acid.
Chemical Property Profile of 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid
Property Insights of 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid
The XLogP value of 0.37942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid. Following Lipinski's Rule of Five, 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid has 2 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-3,4-dicarboxylic Acid?
The CAS number of 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid is 198135-45-4.
What is the molecular formula of 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid?
The molecular formula of 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid is C6H5NO5.
What is the molecular weight of 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid?
The molecular weight of 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid is 171.02 g/mol.
Where can I buy 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid?
You can request a quote for 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid 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-3,4-dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-1,2-oxazole-3,4-dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.