TL;DR: ethyl N-[(4-methylphenyl)sulfonyl]leucinate (CAS 1396966-30-5) is a chemical compound with molecular formula C15H23NO4S and molecular weight 313.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
Also Known As: ethyl N-[(4-methylphenyl)sulfonyl]leucinate, 2-(Tosylamino)-4-methylpentanoic acid ethyl ester, ETHYL 4-METHYL-2-(4-METHYLBENZENESULFONAMIDO)PENTANOATE, ethyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
| Molecular Formula | C15H23NO4S |
| Molecular Weight | 313.13477 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.13477 Da |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
| SMILES | CCOC(=O)C(CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | FIPFEOQLTKCEPN-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that ethyl N-[(4-methylphenyl)sulfonyl]leucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(4-methylphenyl)sulfonyl]leucinate. Following Lipinski's Rule of Five, ethyl N-[(4-methylphenyl)sulfonyl]leucinate has 1 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 ethyl N-[(4-methylphenyl)sulfonyl]leucinate is 1396966-30-5.
The molecular formula of ethyl N-[(4-methylphenyl)sulfonyl]leucinate is C15H23NO4S.
The molecular weight of ethyl N-[(4-methylphenyl)sulfonyl]leucinate is 313.13477 g/mol.
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