2-Amino-4-nitrotoluene-5-sulfonic acid
TL;DR: 2-Amino-4-nitrotoluene-5-sulfonic acid (CAS 68061-95-0) is a chemical compound with molecular formula C7H8N2O5S and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-methyl-2-nitrobenzenesulfonic acid
Also Known As: 2-Amino-4-nitrotoluene-5-sulfonic acid, 4-amino-5-methyl-2-nitrobenzenesulfonic acid, 2-AMINO-4-NITROTOLUENE-5-SULFONICACID, 4-amino-5-methyl-2-nitrobenzene-1-sulfonic acid, 2-Nitro-4-amino-5-methylbenzenesulfonic acid
| Molecular Formula | C7H8N2O5S |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 0.73212 |
| Topological Polar Surface Area | 123.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0154 |
| Heavy Atoms | 15 |
| Complexity | 522.42725 |
Chemical Identifiers
| CAS Number | 68061-95-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)[N+](=O)[O-])S(=O)(=O)O |
Product Overview
2-Amino-4-nitrotoluene-5-sulfonic acid (CAS 68061-95-0), with molecular formula C7H8N2O5S and molecular weight 232.02 g/mol. IUPAC: 4-amino-5-methyl-2-nitrobenzenesulfonic acid.
Chemical Property Profile of 2-Amino-4-nitrotoluene-5-sulfonic acid
Property Insights of 2-Amino-4-nitrotoluene-5-sulfonic acid
The XLogP value of 0.73212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-nitrotoluene-5-sulfonic acid. The TPSA of 123.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-nitrotoluene-5-sulfonic acid. Following Lipinski's Rule of Five, 2-Amino-4-nitrotoluene-5-sulfonic acid has 2 hydrogen bond donor(s) and 5 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-Amino-4-nitrotoluene-5-sulfonic acid?
The CAS number of 2-Amino-4-nitrotoluene-5-sulfonic acid is 68061-95-0.
What is the molecular formula of 2-Amino-4-nitrotoluene-5-sulfonic acid?
The molecular formula of 2-Amino-4-nitrotoluene-5-sulfonic acid is C7H8N2O5S.
What is the molecular weight of 2-Amino-4-nitrotoluene-5-sulfonic acid?
The molecular weight of 2-Amino-4-nitrotoluene-5-sulfonic acid is 232.02 g/mol.
Where can I buy 2-Amino-4-nitrotoluene-5-sulfonic acid?
You can request a quote for 2-Amino-4-nitrotoluene-5-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-Amino-4-nitrotoluene-5-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-nitrotoluene-5-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.