2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
TL;DR: 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid (CAS 1008671-72-4) is a chemical compound with molecular formula C13H19NO4S2 and molecular weight 317.07556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
Also Known As: 2-(2,4-dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid, ((2,4-DIMETHYLPHENYL)SULFONYL)METHIONINE, 2-{[(2,4-dimethylphenyl)sulfonyl]amino}-4-(methylthio)butanoic acid, 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid, 2-(2,4-dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoicacid
Technical Specifications
| Molecular Formula | C13H19NO4S2 |
| Molecular Weight | 317.07556 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.07556 Da |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O)C |
| InChIKey | BUZREBMUVLYWFH-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
Property Insights of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)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
What is the CAS number of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is 1008671-72-4.
What is the molecular formula of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is C13H19NO4S2.
What is the molecular weight of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is 317.07556 g/mol.
Where can I buy 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,4-Dimethylbenzenesulfonamido)-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.