5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid
TL;DR: 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid (CAS 83732-86-9) is a chemical compound with molecular formula C13H9NO10S2 and molecular weight 402.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(2-nitro-4-sulfophenyl)sulfonylbenzoic acid
Also Known As: 5-[sulphonyl]salicylicacid, 5-[ sulphonyl]salicylicacid, EINECS 280-638-6, 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid, 2-hydroxy-5-(2-nitro-4-sulfophenyl)sulfonylbenzoic acid
| Molecular Formula | C13H9NO10S2 |
|---|---|
| Molecular Weight | 402.97 g/mol |
| LogP | 1.0781 |
| Topological Polar Surface Area | 189.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.9668 |
| Heavy Atoms | 26 |
| Complexity | 1135.5099 |
Chemical Identifiers
| CAS Number | 83732-86-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])C(=O)O)O |
Product Overview
5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid (CAS 83732-86-9), with molecular formula C13H9NO10S2 and molecular weight 402.97 g/mol. IUPAC: 2-hydroxy-5-(2-nitro-4-sulfophenyl)sulfonylbenzoic acid.
Chemical Property Profile of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid
Property Insights of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid
The XLogP value of 1.0781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid. The TPSA of 189.18 Ų indicates high polarity, suggesting 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid has 3 hydrogen bond donor(s) and 8 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 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid?
The CAS number of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid is 83732-86-9.
What is the molecular formula of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid?
The molecular formula of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid is C13H9NO10S2.
What is the molecular weight of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid?
The molecular weight of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid is 402.97 g/mol.
Where can I buy 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid?
You can request a quote for 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.