TL;DR: N~2~-(4-Methylbenzene-1-sulfonyl)glutamine (CAS 152542-09-1) is a chemical compound with molecular formula C12H16N2O5S and molecular weight 300.078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
Also Known As: tosylglutamine, Ts-Gln-OH, 4-carbamoyl-2-(4-methylbenzenesulfonamido)butanoic acid, 4-Carbamoyl-2-(toluene-4-sulfonylamino)-butyric acid, N~2~-(4-Methylbenzene-1-sulfonyl)glutamine
| Molecular Formula | C12H16N2O5S |
| Molecular Weight | 300.078 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.078 Da |
| Heavy Atoms | 20 |
| Complexity | 449.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)N)C(=O)O |
| InChIKey | YDNYEJZZJXFADP-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(4-Methylbenzene-1-sulfonyl)glutamine. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(4-Methylbenzene-1-sulfonyl)glutamine. Following Lipinski's Rule of Five, N~2~-(4-Methylbenzene-1-sulfonyl)glutamine has 3 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~2~-(4-Methylbenzene-1-sulfonyl)glutamine is 152542-09-1.
The molecular formula of N~2~-(4-Methylbenzene-1-sulfonyl)glutamine is C12H16N2O5S.
The molecular weight of N~2~-(4-Methylbenzene-1-sulfonyl)glutamine is 300.078 g/mol.
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