3,5-Diethyl-isoxazole-4-carboxylic acid
TL;DR: 3,5-Diethyl-isoxazole-4-carboxylic acid (CAS 216700-85-5) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diethyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3,5-diethylisoxazole-4-carboxylic acid, 3,5-Diethyl-isoxazole-4-carboxylic acid, 4-Isoxazolecarboxylicacid, 3,5-diethyl-, 3,5-diethyl-1,2-oxazole-4-carboxylic acid, diethyl-1,2-oxazole-4-carboxylic acid
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 1.4976 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 268.99313 |
Chemical Identifiers
| CAS Number | 216700-85-5 |
|---|---|
| SMILES | CCC1=C(C(=NO1)CC)C(=O)O |
Product Overview
3,5-Diethyl-isoxazole-4-carboxylic acid (CAS 216700-85-5), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: 3,5-diethyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3,5-Diethyl-isoxazole-4-carboxylic acid
Property Insights of 3,5-Diethyl-isoxazole-4-carboxylic acid
The XLogP value of 1.4976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diethyl-isoxazole-4-carboxylic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diethyl-isoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3,5-Diethyl-isoxazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-Diethyl-isoxazole-4-carboxylic acid?
The CAS number of 3,5-Diethyl-isoxazole-4-carboxylic acid is 216700-85-5.
What is the molecular formula of 3,5-Diethyl-isoxazole-4-carboxylic acid?
The molecular formula of 3,5-Diethyl-isoxazole-4-carboxylic acid is C8H11NO3.
What is the molecular weight of 3,5-Diethyl-isoxazole-4-carboxylic acid?
The molecular weight of 3,5-Diethyl-isoxazole-4-carboxylic acid is 169.07 g/mol.
Where can I buy 3,5-Diethyl-isoxazole-4-carboxylic acid?
You can request a quote for 3,5-Diethyl-isoxazole-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-Diethyl-isoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diethyl-isoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.