4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid
TL;DR: 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid (CAS 6837-93-0) is a chemical compound with molecular formula C17H15NO9S3 and molecular weight 472.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid
Also Known As: Kyselina o-tosyl-h, Compound 16168, Kyselina O-tosyl-H [Czech], NCIStruc1_001257, NCIStruc2_001017
| Molecular Formula | C17H15NO9S3 |
|---|---|
| Molecular Weight | 472.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.9909 |
| Heavy Atoms | 30 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 6837-93-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | ZIQWUYNDHGXLIN-UHFFFAOYSA-N |
Product Overview
4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid (CAS 6837-93-0), with molecular formula C17H15NO9S3 and molecular weight 472.99 g/mol. IUPAC: 4-amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid
Property Insights of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid. The TPSA of 203.0 Ų indicates high polarity, suggesting 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid has 3 hydrogen bond donor(s) and 10 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 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid?
The CAS number of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid is 6837-93-0.
What is the molecular formula of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid?
The molecular formula of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid is C17H15NO9S3.
What is the molecular weight of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid?
The molecular weight of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid is 472.99 g/mol.
Where can I buy 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid?
You can request a quote for 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.