3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide
TL;DR: 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide (CAS 204335-82-0) is a chemical compound with molecular formula C4H3N3O5 and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid
Also Known As: BAS 01293294, 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide, 4-Carbamoyl-5-oxy-furazan-3-carboxylic acid, 4-carbamoyl-5-hydroxy-1,2,5-oxadiazole-3-carboxylic acid, 4-carbamoyl-1,2,5-oxadiazole-3-carboxylic acid 5-oxide
| Molecular Formula | C4H3N3O5 |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | -1.8949 |
| Topological Polar Surface Area | 133.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.00726 |
| Heavy Atoms | 12 |
| Complexity | 342.4626 |
Chemical Identifiers
| CAS Number | 204335-82-0 |
|---|---|
| SMILES | C1(=NO[N+](=C1C(=O)N)[O-])C(=O)O |
Product Overview
3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide (CAS 204335-82-0), with molecular formula C4H3N3O5 and molecular weight 173.01 g/mol. IUPAC: 4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid.
Chemical Property Profile of 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide
Property Insights of 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide
The XLogP value of -1.8949 indicates that 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide. Following Lipinski's Rule of Five, 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide 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 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide?
The CAS number of 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide is 204335-82-0.
What is the molecular formula of 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide?
The molecular formula of 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide is C4H3N3O5.
What is the molecular weight of 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide?
The molecular weight of 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide is 173.01 g/mol.
Where can I buy 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide?
You can request a quote for 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbamoyl-4-carboxy-1,2,5-oxadiazole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.