2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid
TL;DR: 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid (CAS 6650-95-9) is a chemical compound with molecular formula C16H11NO8S2 and molecular weight 408.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-nitrophenyl)sulfonyloxynaphthalene-2-sulfonic acid
Also Known As: Sid 769049, 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid, 6-{[(3-nitrophenyl)sulfonyl]oxy}naphthalene-2-sulfonic acid, 6-(3-nitrophenyl)sulfonyloxynaphthalene-2-sulfonic acid, 2-Naphthalenesulfonic acid, 6-(((3-nitrophenyl)sulfonyl)oxy)-
| Molecular Formula | C16H11NO8S2 |
|---|---|
| Molecular Weight | 408.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.9926 |
| Heavy Atoms | 27 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 6650-95-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | AOAFLACJAWEVQC-UHFFFAOYSA-N |
Product Overview
2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid (CAS 6650-95-9), with molecular formula C16H11NO8S2 and molecular weight 408.99 g/mol. IUPAC: 6-(3-nitrophenyl)sulfonyloxynaphthalene-2-sulfonic acid.
Chemical Property Profile of 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid
Property Insights of 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid. The TPSA of 160.0 Ų indicates high polarity, suggesting 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid has 1 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 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid?
The CAS number of 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid is 6650-95-9.
What is the molecular formula of 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid?
The molecular formula of 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid is C16H11NO8S2.
What is the molecular weight of 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid?
The molecular weight of 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid is 408.99 g/mol.
Where can I buy 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid?
You can request a quote for 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrobenzenesulfonyloxy)naphthalene-6-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.