4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid
TL;DR: 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid (CAS 401633-13-4) is a chemical compound with molecular formula C5H2F3N3O4 and molecular weight 225.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,2,2-trifluoroacetyl)amino]-1,2,5-oxadiazole-3-carboxylic acid
Also Known As: 4-(trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid, 4-[(2,2,2-trifluoroacetyl)amino]-1,2,5-oxadiazole-3-carboxylic Acid, 4-(2,2,2-trifluoroacetylamino)-1,2,5-oxadiazole-3-carboxylic acid
| Molecular Formula | C5H2F3N3O4 |
|---|---|
| Molecular Weight | 225.00 g/mol |
| LogP | 0.2686 |
| Topological Polar Surface Area | 105.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.99974 |
| Heavy Atoms | 15 |
| Complexity | 398.47168 |
Chemical Identifiers
| CAS Number | 401633-13-4 |
|---|---|
| SMILES | C1(=NON=C1NC(=O)C(F)(F)F)C(=O)O |
Product Overview
4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid (CAS 401633-13-4), with molecular formula C5H2F3N3O4 and molecular weight 225.00 g/mol. IUPAC: 4-[(2,2,2-trifluoroacetyl)amino]-1,2,5-oxadiazole-3-carboxylic acid.
Chemical Property Profile of 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid
Property Insights of 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid
The XLogP value of 0.2686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid. The TPSA of 105.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid has 2 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 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid?
The CAS number of 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid is 401633-13-4.
What is the molecular formula of 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid?
The molecular formula of 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid is C5H2F3N3O4.
What is the molecular weight of 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid?
The molecular weight of 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid is 225.00 g/mol.
Where can I buy 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid?
You can request a quote for 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoroacetamido)-1,2,5-oxadiazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.