4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide
TL;DR: 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide (CAS 696600-99-4) is a chemical compound with molecular formula C9H9N5O3 and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide
Also Known As: A3561/0151037, 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide, 4-amino-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide 2-oxide, 4-AMINO-3-{[(3-PYRIDYLMETHYL)AMINO]CARBONYL}-1,2,5-OXADIAZOL-2-IUM-2-OLATE
| Molecular Formula | C9H9N5O3 |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | -0.7848 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07054 |
| Heavy Atoms | 17 |
| Complexity | 505.18253 |
Chemical Identifiers
| CAS Number | 696600-99-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=O)C2=[N+](ON=C2N)[O-] |
Product Overview
4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide (CAS 696600-99-4), with molecular formula C9H9N5O3 and molecular weight 235.07 g/mol. IUPAC: 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide.
Chemical Property Profile of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide
Property Insights of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide
The XLogP value of -0.7848 indicates that 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide. Following Lipinski's Rule of Five, 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide 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
Frequently Asked Questions
What is the CAS number of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide?
The CAS number of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide is 696600-99-4.
What is the molecular formula of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide?
The molecular formula of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide is C9H9N5O3.
What is the molecular weight of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide?
The molecular weight of 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide is 235.07 g/mol.
Where can I buy 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide?
You can request a quote for 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-2-oxido-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.