3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid
TL;DR: 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid (CAS 849066-63-3) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
Also Known As: 3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carboxylic acid, Maybridge3_007228, 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid, IDI1_018615, 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.64464 |
| Topological Polar Surface Area | 89.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 511.91458 |
Chemical Identifiers
| CAS Number | 849066-63-3 |
|---|---|
| SMILES | CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O |
Product Overview
3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid (CAS 849066-63-3), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid
Property Insights of 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid
The XLogP value of 1.64464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid. The TPSA of 89.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid. Following Lipinski's Rule of Five, 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid?
The CAS number of 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid is 849066-63-3.
What is the molecular formula of 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid?
The molecular formula of 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid is C9H8N2O4.
What is the molecular weight of 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid?
The molecular weight of 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid is 208.05 g/mol.
Where can I buy 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid?
You can request a quote for 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.