4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid
TL;DR: 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid (CAS 57207-07-5) is a chemical compound with molecular formula C17H16N4O7S and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]benzenesulfonic acid
Also Known As: 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid, 4-({2-[(e)-(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanoyl}amino)benzenesulfonic acid, 4-[[2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]benzenesulfonic acid, 4-[[2-(4-Methyl-2-nitrophenyl)diazenyl-3-oxobutanoyl]amino]benzenesulfonic acid, 4-[[2-[(4-METHYL-2-NITROPHENYL)AZO]-1,3-DIOXOBUTYL ]AMINO]BENZENESULPHONIC ACID
| Molecular Formula | C17H16N4O7S |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.07397 |
| Heavy Atoms | 29 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 57207-07-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | GXGINBOQJUFKAI-UHFFFAOYSA-N |
Product Overview
4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid (CAS 57207-07-5), with molecular formula C17H16N4O7S and molecular weight 420.07 g/mol. IUPAC: 4-[[2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]benzenesulfonic acid.
Chemical Property Profile of 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid
Property Insights of 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid. The TPSA of 179.0 Ų indicates high polarity, suggesting 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid has 2 hydrogen bond donor(s) and 9 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-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid?
The CAS number of 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid is 57207-07-5.
What is the molecular formula of 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid?
The molecular formula of 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid is C17H16N4O7S.
What is the molecular weight of 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid?
The molecular weight of 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid is 420.07 g/mol.
Where can I buy 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid?
You can request a quote for 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)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 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-((4-Methyl-2-nitrophenyl)azo)-1,3-dioxobutyl)amino)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.