((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid
TL;DR: ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid (CAS 71735-26-7) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4-nitroanilino)benzenesulfonic acid
Also Known As: [ amino]benzenesulphonicacid|EINECS 275-938-9|((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid|2-(2-methyl-4-nitroanilino)benzenesulfonic acid|2-[(2-Methyl-4-nitrophenyl)amino]benzenesulfonic acid|2-(2-Methyl-4-nitroanilino)benzene-1-sulfonic acid|[(2-methyl-4-nitrophenyl)amino]benzenesulphonic acid|DVDKGRJKDBYCDL-UHFFFAOYSA-N
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.89352 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 801.959 |
Chemical Identifiers
| CAS Number | 71735-26-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=CC=C2S(=O)(=O)O |
Product Overview
((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid (CAS 71735-26-7), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: 2-(2-methyl-4-nitroanilino)benzenesulfonic acid.
Chemical Property Profile of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid
Property Insights of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid
The XLogP value of 2.89352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid. Following Lipinski's Rule of Five, ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic 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-Methyl-4-nitrophenyl)amino)benzenesulphonic acid?
The CAS number of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid is 71735-26-7.
What is the molecular formula of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid?
The molecular formula of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid is C13H12N2O5S.
What is the molecular weight of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid?
The molecular weight of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid is 308.05 g/mol.
Where can I buy ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid?
You can request a quote for ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.