4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid
TL;DR: 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid (CAS 1396963-05-5) is a chemical compound with molecular formula C12H16N2O6S and molecular weight 316.0729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
Also Known As: 4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid, 4-Carbamoyl-2-(4-methoxy-benzenesulfonylamino)-butyric acid, 5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid, 4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoicacid, 4-carbamoyl-2-[(4-methoxyphenyl)sulfonylamino]butanoic Acid
Technical Specifications
| Molecular Formula | C12H16N2O6S |
| Molecular Weight | 316.0729 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.0729 Da |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)N)C(=O)O |
| InChIKey | WRHJLQNUJNCDLD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid
Property Insights of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid
The XLogP value of -0.3 indicates that 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid has 3 hydrogen bond donor(s) and 7 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-(4-methoxybenzenesulfonamido)butanoic acid?
The CAS number of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is 1396963-05-5.
What is the molecular formula of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
The molecular formula of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is C12H16N2O6S.
What is the molecular weight of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
The molecular weight of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is 316.0729 g/mol.
Where can I buy 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
You can request a quote for 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.