4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid
TL;DR: 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid (CAS 536726-22-4) is a chemical compound with molecular formula C11H14N2O6S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfonyl-2-nitroanilino)butanoic acid
Also Known As: 4-(4-methylsulfonyl-2-nitroanilino)butanoic acid, 4-((4-(methylsulfonyl)-2-nitrophenyl)amino)butanoic acid, 4-[(4-METHANESULFONYL-2-NITROPHENYL)AMINO]BUTANOIC ACID, 4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}butanoic acid, 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoic Acid
| Molecular Formula | C11H14N2O6S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 1.275 |
| Topological Polar Surface Area | 126.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.05725 |
| Heavy Atoms | 20 |
| Complexity | 625.80054 |
Chemical Identifiers
| CAS Number | 536726-22-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)NCCCC(=O)O)[N+](=O)[O-] |
Product Overview
4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid (CAS 536726-22-4), with molecular formula C11H14N2O6S and molecular weight 302.06 g/mol. IUPAC: 4-(4-methylsulfonyl-2-nitroanilino)butanoic acid.
Chemical Property Profile of 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid
Property Insights of 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid
The XLogP value of 1.275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid. The TPSA of 126.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid. Following Lipinski's Rule of Five, 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid has 2 hydrogen bond donor(s) and 6 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-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid?
The CAS number of 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid is 536726-22-4.
What is the molecular formula of 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid?
The molecular formula of 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid is C11H14N2O6S.
What is the molecular weight of 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid?
The molecular weight of 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid is 302.06 g/mol.
Where can I buy 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid?
You can request a quote for 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(Methylsulfonyl)-2-nitrophenyl)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.