phenol, 2-amino-3,5-dinitro-, monosodium salt
TL;DR: phenol, 2-amino-3,5-dinitro-, monosodium salt (CAS 63589-13-9) is a chemical compound with molecular formula C6H4N3NaO5 and molecular weight 221.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-amino-3,5-dinitrophenolate
Also Known As: Phenol, 2-amino-3,5-dinitro-, monosodium salt, sodium 2-amino-3,5-dinitrophenolate, Sodium2-amino-3,5-dinitrophenolate, sodium,2-amino-3,5-dinitrophenolate, SODIUM 2-AMINO-3,5-DINITRO-PHENOLATE
| Molecular Formula | C6H4N3NaO5 |
|---|---|
| Molecular Weight | 221.00 g/mol |
| LogP | -2.8372 |
| Topological Polar Surface Area | 135.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.00487 |
| Heavy Atoms | 15 |
| Complexity | 421.47354 |
Chemical Identifiers
| CAS Number | 63589-13-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[O-])[N+](=O)[O-].[Na+] |
Product Overview
phenol, 2-amino-3,5-dinitro-, monosodium salt (CAS 63589-13-9), with molecular formula C6H4N3NaO5 and molecular weight 221.00 g/mol. IUPAC: sodium 2-amino-3,5-dinitrophenolate.
Chemical Property Profile of phenol, 2-amino-3,5-dinitro-, monosodium salt
Property Insights of phenol, 2-amino-3,5-dinitro-, monosodium salt
The XLogP value of -2.8372 indicates that phenol, 2-amino-3,5-dinitro-, monosodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.36 Ų falls within the moderate polarity range, balancing permeability and solubility for phenol, 2-amino-3,5-dinitro-, monosodium salt. Following Lipinski's Rule of Five, phenol, 2-amino-3,5-dinitro-, monosodium salt 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 phenol, 2-amino-3,5-dinitro-, monosodium salt?
The CAS number of phenol, 2-amino-3,5-dinitro-, monosodium salt is 63589-13-9.
What is the molecular formula of phenol, 2-amino-3,5-dinitro-, monosodium salt?
The molecular formula of phenol, 2-amino-3,5-dinitro-, monosodium salt is C6H4N3NaO5.
What is the molecular weight of phenol, 2-amino-3,5-dinitro-, monosodium salt?
The molecular weight of phenol, 2-amino-3,5-dinitro-, monosodium salt is 221.00 g/mol.
Where can I buy phenol, 2-amino-3,5-dinitro-, monosodium salt?
You can request a quote for phenol, 2-amino-3,5-dinitro-, monosodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenol, 2-amino-3,5-dinitro-, monosodium salt?
Yes, KEHONG BIO provides custom synthesis services for phenol, 2-amino-3,5-dinitro-, monosodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.