4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid
TL;DR: 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid (CAS 1396962-35-8) is a chemical compound with molecular formula C13H18N2O5S and molecular weight 314.09363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-[(2,4-dimethylphenyl)sulfonylamino]-5-oxopentanoic acid
Also Known As: 4-carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid, ((2,4-DIMETHYLPHENYL)SULFONYL)GLUTAMINE, 5-amino-2-[(2,4-dimethylphenyl)sulfonylamino]-5-oxopentanoic acid, 5-amino-2-{[(2,4-dimethylphenyl)sulfonyl]amino}-5-oxopentanoic acid, 4-carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoicacid
Technical Specifications
| Molecular Formula | C13H18N2O5S |
| Molecular Weight | 314.09363 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.09363 Da |
| Heavy Atoms | 21 |
| Complexity | 485.0 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)NC(CCC(=O)N)C(=O)O)C |
| InChIKey | XRCFYLHXXLSTTD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid
Property Insights of 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid. Following Lipinski's Rule of Five, 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid has 3 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 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid?
The CAS number of 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid is 1396962-35-8.
What is the molecular formula of 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid?
The molecular formula of 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid is C13H18N2O5S.
What is the molecular weight of 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid?
The molecular weight of 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid is 314.09363 g/mol.
Where can I buy 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid?
You can request a quote for 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Carbamoyl-2-(2,4-dimethylbenzenesulfonamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.