Benzadox-ammonium
TL;DR: Benzadox-ammonium (CAS 5251-79-6) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-benzamidooxyacetate
Also Known As: Benzadox-ammonium, Ammonium benzadox, Topcide, Benzadox ammonium salt, Ammonium benzamidooxyacetate
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5251-79-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NOCC(=O)[O-].[NH4+] |
| InChIKey | ARRGVXFLPAQYKA-UHFFFAOYSA-N |
Product Overview
Benzadox-ammonium (CAS 5251-79-6), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: azanium 2-benzamidooxyacetate.
Chemical Property Profile of Benzadox-ammonium
Property Insights of Benzadox-ammonium
The XLogP value of -0.53 indicates that Benzadox-ammonium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzadox-ammonium. Following Lipinski's Rule of Five, Benzadox-ammonium has 2 hydrogen bond donor(s) and 4 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 Benzadox-ammonium?
The CAS number of Benzadox-ammonium is 5251-79-6.
What is the molecular formula of Benzadox-ammonium?
The molecular formula of Benzadox-ammonium is C9H12N2O4.
What is the molecular weight of Benzadox-ammonium?
The molecular weight of Benzadox-ammonium is 212.08 g/mol.
Where can I buy Benzadox-ammonium?
You can request a quote for Benzadox-ammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzadox-ammonium?
Yes, KEHONG BIO provides custom synthesis services for Benzadox-ammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.