TL;DR: N-[4-methoxybenzenesulfonyl]-(D)-valine (CAS 161315-45-3) is a chemical compound with molecular formula C12H17NO5S and molecular weight 287.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
Also Known As: EiM07-29944, N-(4-Methoxyphenylsulfonyl)-D-valine, D-Valine, N-[(4-methoxyphenyl)sulfonyl]-, BAS 03150617, N-[4-methoxybenzenesulfonyl]-(D)-valine
| Molecular Formula | C12H17NO5S |
| Molecular Weight | 287.08273 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.08273 Da |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
| SMILES | CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC |
| InChIKey | MMAMULOKFLYVHG-LLVKDONJSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-methoxybenzenesulfonyl]-(D)-valine. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-methoxybenzenesulfonyl]-(D)-valine. Following Lipinski's Rule of Five, N-[4-methoxybenzenesulfonyl]-(D)-valine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[4-methoxybenzenesulfonyl]-(D)-valine is 161315-45-3.
The molecular formula of N-[4-methoxybenzenesulfonyl]-(D)-valine is C12H17NO5S.
The molecular weight of N-[4-methoxybenzenesulfonyl]-(D)-valine is 287.08273 g/mol.
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