4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid
TL;DR: 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid (CAS 352647-58-6) is a chemical compound with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic acid
Also Known As: 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid, D-5160, 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylicAcid, 1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, 4-(2-CYANOETHYL)-, 1,2,5-Oxadiazole-3-carboxylic acid, 4-(2-cyanoethyl)- (9CI)
| Molecular Formula | C6H5N3O3 |
|---|---|
| Molecular Weight | 167.03 g/mol |
| LogP | 0.22398 |
| Topological Polar Surface Area | 100.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.0331 |
| Heavy Atoms | 12 |
| Complexity | 325.02444 |
Chemical Identifiers
| CAS Number | 352647-58-6 |
|---|---|
| SMILES | C(CC1=NON=C1C(=O)O)C#N |
Product Overview
4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid (CAS 352647-58-6), with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol. IUPAC: 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic acid.
Chemical Property Profile of 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid
Property Insights of 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid
The XLogP value of 0.22398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid. The TPSA of 100.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid. Following Lipinski's Rule of Five, 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-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 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid?
The CAS number of 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid is 352647-58-6.
What is the molecular formula of 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid?
The molecular formula of 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid is C6H5N3O3.
What is the molecular weight of 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid?
The molecular weight of 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid is 167.03 g/mol.
Where can I buy 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid?
You can request a quote for 4-(2-cyanoethyl)-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-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-cyanoethyl)-1,2,5-oxadiazole-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.