Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate
TL;DR: Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate (CAS 84029-45-8) is a chemical compound with molecular formula C14H11N2NaO6S and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate
Also Known As: EINECS 281-719-9, sodium4- benzenesulphonate, Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate, EC 281-719-9, Sodium 4-(4-methyl-3-nitrobenzamido)benzene-1-sulfonate
| Molecular Formula | C14H11N2NaO6S |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | -0.93638 |
| Topological Polar Surface Area | 129.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.02356 |
| Heavy Atoms | 24 |
| Complexity | 880.6377 |
Chemical Identifiers
| CAS Number | 84029-45-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
Product Overview
Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate (CAS 84029-45-8), with molecular formula C14H11N2NaO6S and molecular weight 358.02 g/mol. IUPAC: sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate.
Chemical Property Profile of Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate
Property Insights of Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate
The XLogP value of -0.93638 indicates that Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate. Following Lipinski's Rule of Five, Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate 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 Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate?
The CAS number of Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate is 84029-45-8.
What is the molecular formula of Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate?
The molecular formula of Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate is C14H11N2NaO6S.
What is the molecular weight of Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate?
The molecular weight of Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate is 358.02 g/mol.
Where can I buy Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate?
You can request a quote for Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.