TL;DR: Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine (CAS 132412-55-6) is a chemical compound with molecular formula C24H29N5O6S and molecular weight 515.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-(4-carbamimidoylphenyl)-2-[[2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
Also Known As: KST-1B0211, Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine, 1-[(4-methylphenyl)sulfonyl]-l-prolylglycyl-4-carbamimidoyl-l-phenylalanine, L-Phenylalanine, 4-(aminoiminomethyl)-N-(N-(1-((4-methylphenyl)sulfonyl)-L-prolyl)glycyl)-, (2S)-3-(4-carbamimidoylphenyl)-2-[[2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
| Molecular Formula | C24H29N5O6S |
| Molecular Weight | 515.18384 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.18384 Da |
| Heavy Atoms | 36 |
| Complexity | 920.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)C(=N)N)C(=O)O |
| InChIKey | JPEWJKSYNGCQMR-PMACEKPBSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine. The TPSA of 191.0 Ų indicates high polarity, suggesting Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine is 132412-55-6.
The molecular formula of Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine is C24H29N5O6S.
The molecular weight of Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine is 515.18384 g/mol.
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