TL;DR: Ile-Lys-Trp (CAS 145570-99-6) is a chemical compound with molecular formula C23H35N5O4 and molecular weight 445.2689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Also Known As: Ile-Lys-Trp, Isoleucyl-lysyl-tryptophan, L-Isoleucyl-L-lysyl-L-tryptophan, L-Tryptophan, L-isoleucyl-L-lysyl-, J1.356.192C
| Molecular Formula | C23H35N5O4 |
| Molecular Weight | 445.2689 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 445.2689 Da |
| Heavy Atoms | 32 |
| Complexity | 632.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N |
| InChIKey | CEPIAEUVRKGPGP-DSYPUSFNSA-N |
The XLogP value of -1.3 indicates that Ile-Lys-Trp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Ile-Lys-Trp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ile-Lys-Trp has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ile-Lys-Trp is 145570-99-6.
The molecular formula of Ile-Lys-Trp is C23H35N5O4.
The molecular weight of Ile-Lys-Trp is 445.2689 g/mol.
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