6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid
TL;DR: 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid (CAS 33317-49-6) is a chemical compound with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[methyl-(3-nitrophenyl)sulfamoyl]hexanoic acid
Also Known As: 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid, 6-[methyl(3-nitrophenyl)sulfamoyl]hexanoic acid, 6-[methyl-(3-nitrophenyl)sulfamoyl]hexanoic acid, Hexanoic acid, 6-[methyl[(3-nitrophenyl)sulfonyl]amino]-, 3-formyl-4,5-dimethyl-pyrrole-2-carboxylic acid methyl ester
| Molecular Formula | C13H18N2O6S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.08856 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 33317-49-6 |
|---|---|
| SMILES | CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)CCCCCC(=O)O |
| InChIKey | HPDJZSMLQFNLCR-UHFFFAOYSA-N |
Product Overview
6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid (CAS 33317-49-6), with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol. IUPAC: 6-[methyl-(3-nitrophenyl)sulfamoyl]hexanoic acid.
Chemical Property Profile of 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid
Property Insights of 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid. Following Lipinski's Rule of Five, 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid has 1 hydrogen bond donor(s) and 7 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 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid?
The CAS number of 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid is 33317-49-6.
What is the molecular formula of 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid?
The molecular formula of 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid is C13H18N2O6S.
What is the molecular weight of 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid?
The molecular weight of 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid is 330.09 g/mol.
Where can I buy 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid?
You can request a quote for 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methyl((3-nitrophenyl)sulphonyl)amino)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.