1,3-Benzenediol, 4-nitro-, sodium salt (1:?)
TL;DR: 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) (CAS 63512-41-4) is a chemical compound with molecular formula C6H4NNaO4 and molecular weight 177.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 5-hydroxy-2-nitrophenolate
Also Known As: Sodium 4-nitroresorcinolate, sodium 5-hydroxy-2-nitrophenolate, 1,3-Benzenediol, 4-nitro-, sodium salt, EINECS 264-283-4, 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)
| Molecular Formula | C6H4NNaO4 |
|---|---|
| Molecular Weight | 177.00 g/mol |
| LogP | -2.622 |
| Topological Polar Surface Area | 86.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.0038 |
| Heavy Atoms | 12 |
| Complexity | 301.5996 |
Chemical Identifiers
| CAS Number | 63512-41-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)[O-])[N+](=O)[O-].[Na+] |
Product Overview
1,3-Benzenediol, 4-nitro-, sodium salt (1:?) (CAS 63512-41-4), with molecular formula C6H4NNaO4 and molecular weight 177.00 g/mol. IUPAC: sodium 5-hydroxy-2-nitrophenolate.
Chemical Property Profile of 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)
Property Insights of 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)
The XLogP value of -2.622 indicates that 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 4-nitro-, sodium salt (1:?). Following Lipinski's Rule of Five, 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) has 1 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 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)?
The CAS number of 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) is 63512-41-4.
What is the molecular formula of 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)?
The molecular formula of 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) is C6H4NNaO4.
What is the molecular weight of 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)?
The molecular weight of 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) is 177.00 g/mol.
Where can I buy 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)?
You can request a quote for 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 4-nitro-, sodium salt (1:?)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 4-nitro-, sodium salt (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.