TL;DR: 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid (CAS 125393-21-7) is a chemical compound with molecular formula C14H20N2O5S and molecular weight 328.10928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-morpholin-4-ylsulfonylanilino)butanoic acid
Also Known As: 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid, BAS 00818931, 4-(4-morpholin-4-ylsulfonylanilino)butanoic acid, 4-((4-(Morpholinosulfonyl)phenyl)amino)butanoic acid, 4-{[4-(Morpholin-4-ylsulfonyl)-phenyl]amino}butanoic acid
| Molecular Formula | C14H20N2O5S |
| Molecular Weight | 328.10928 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.10928 Da |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NCCCC(=O)O |
| InChIKey | ZNUFYGYQDNEKEB-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid. Following Lipinski's Rule of Five, 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid is 125393-21-7.
The molecular formula of 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid is C14H20N2O5S.
The molecular weight of 4-[4-(Morpholine-4-sulfonyl)-phenylamino]-butyric acid is 328.10928 g/mol.
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