Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)
TL;DR: Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) (CAS 68444-12-2) is a chemical compound with molecular formula C7H6NNaO6S and molecular weight 254.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium hydroxy-(3-nitrophenyl)methanesulfonate
Also Known As: m-Nitrobenzaldehyde bisulfite, monosodium salt, Sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate, sodium hydroxy-(3-nitrophenyl)methanesulfonate, sodium;hydroxy-(3-nitrophenyl)methanesulfonate, Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, monosodium salt
| Molecular Formula | C7H6NNaO6S |
|---|---|
| Molecular Weight | 254.98 g/mol |
| LogP | -2.87 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.98135 |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 68444-12-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(O)S(=O)(=O)[O-].[Na+] |
| InChIKey | CWHBAYODKMITBS-UHFFFAOYSA-M |
Product Overview
Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) (CAS 68444-12-2), with molecular formula C7H6NNaO6S and molecular weight 254.98 g/mol. IUPAC: sodium hydroxy-(3-nitrophenyl)methanesulfonate.
Chemical Property Profile of Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)
Property Insights of Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)
The XLogP value of -2.87 indicates that Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1). Following Lipinski's Rule of Five, Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) 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 Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)?
The CAS number of Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) is 68444-12-2.
What is the molecular formula of Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)?
The molecular formula of Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) is C7H6NNaO6S.
What is the molecular weight of Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)?
The molecular weight of Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) is 254.98 g/mol.
Where can I buy Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)?
You can request a quote for Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.