TL;DR: N-(benzylsulfonyl)norvaline (CAS 107476-25-5) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylsulfonylamino)pentanoic acid
Also Known As: N-(benzylsulfonyl)norvaline, N-phenylmethanesulfonyl-DL-norvaline, 2-(benzylsulfonylamino)pentanoic acid, 2-Phenylmethanesulfonylamino-pentanoic acid, BAS 02561874
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.08783 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.08783 Da |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
| SMILES | CCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | RFWTYMRQBJBZIB-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzylsulfonyl)norvaline. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzylsulfonyl)norvaline. Following Lipinski's Rule of Five, N-(benzylsulfonyl)norvaline has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(benzylsulfonyl)norvaline is 107476-25-5.
The molecular formula of N-(benzylsulfonyl)norvaline is C12H17NO4S.
The molecular weight of N-(benzylsulfonyl)norvaline is 271.08783 g/mol.
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