TL;DR: Sialokinin I (CAS 152923-41-6) is a chemical compound with molecular formula C51H77N13O15S and molecular weight 1143.5383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoic acid
Also Known As: Sialokinin I, Asn-thr-gly-asp-lys-phe-tyr-gly-leu-met-NH2, (3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoic acid, Physalemin, 1-de(5-oxo-L-proline)-2-L-asparagine-3-L-threonine-4-glycine-5-L-aspartic acid-, (3S)-4-(((2S)-6-amino-1-(((2S)-1-(((2S)-1-((2-(((2S)-1-(((2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxohexan-2-yl)amino)-3-((2-(((2S,3R)-2-(((2S)-2,4-diamino-4-oxobutanoyl)amino)-3-hydroxybutanoyl)amino)acetyl)amino)-4-oxobutanoic acid
| Molecular Formula | C51H77N13O15S |
| Molecular Weight | 1143.5383 g/mol |
| XLogP | -5.2 |
| Topological Polar Surface Area (TPSA) | 503.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 37 |
| Exact Mass | 1143.5383 Da |
| Heavy Atoms | 80 |
| Complexity | 2090.0 |
| SMILES | C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC(=O)N)N)O |
| InChIKey | PTYGRHMEBKSLJX-FBCVKHONSA-N |
The XLogP value of -5.2 indicates that Sialokinin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 503.0 Ų indicates high polarity, suggesting Sialokinin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sialokinin I has 16 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sialokinin I is 152923-41-6.
The molecular formula of Sialokinin I is C51H77N13O15S.
The molecular weight of Sialokinin I is 1143.5383 g/mol.
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