4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid
TL;DR: 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid (CAS 153596-04-4) is a chemical compound with molecular formula C5H6ClN3O3 and molecular weight 191.00977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-chloroethylamino)-1,2,5-oxadiazole-3-carboxylic acid
Also Known As: 4-(2-chloroethylamino)-1,2,5-oxadiazole-3-carboxylic Acid, 4-((2-chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid, 4-(2-chloroethylamino)-1,2,5-oxadiazole-3-car-boxylic acid, 4-[(2-chloroethyl)amino]-1,2,5-oxadiazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C5H6ClN3O3 |
| Molecular Weight | 191.00977 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.00977 Da |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| SMILES | C(CCl)NC1=NON=C1C(=O)O |
| InChIKey | OTYNIHFVJLMFLL-UHFFFAOYSA-N |
Chemical Property Profile of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid
Property Insights of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid?
The CAS number of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid is 153596-04-4.
What is the molecular formula of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid?
The molecular formula of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid is C5H6ClN3O3.
What is the molecular weight of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid?
The molecular weight of 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid is 191.00977 g/mol.
Where can I buy 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid?
You can request a quote for 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-((2-Chloroethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.