6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid
TL;DR: 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid (CAS 6501-77-5) is a chemical compound with molecular formula C8H4N2O5 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2,1-benzoxazole-3-carboxylic acid
Also Known As: 6-nitro-2,1-benzoxazole-3-carboxylic acid, 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid, 6-Nitrobenzo[c]isoxazole-3-carboxylic acid, 6-Nitro-2,1-benzisoxazole-3-carboxylic acid, 6-nitro-benzo[c]isoxazole-3-carboxylic acid
| Molecular Formula | C8H4N2O5 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.01202 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 6501-77-5 |
|---|---|
| SMILES | C1=CC2=C(ON=C2C=C1[N+](=O)[O-])C(=O)O |
| InChIKey | LIZZRGKWWBTAKX-UHFFFAOYSA-N |
Product Overview
6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid (CAS 6501-77-5), with molecular formula C8H4N2O5 and molecular weight 208.01 g/mol. IUPAC: 6-nitro-2,1-benzoxazole-3-carboxylic acid.
Chemical Property Profile of 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid
Property Insights of 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid has 1 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 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid?
The CAS number of 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid is 6501-77-5.
What is the molecular formula of 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid?
The molecular formula of 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid is C8H4N2O5.
What is the molecular weight of 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid?
The molecular weight of 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid is 208.01 g/mol.
Where can I buy 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid?
You can request a quote for 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-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 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.