TL;DR: Tyrostatin (CAS 121024-51-9) is a chemical compound with molecular formula C29H39N3O6 and molecular weight 525.2839 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide
Also Known As: Tyrostatin, N-Isovaleryl-tyrosyl-leucyl-tyrosinal, 2-[[3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide, Leucinamide, N-(3-methyl-1-oxobutyl)tyrosyl-N-(1-formyl-2-(4-hydroxyphenyl)ethyl)-, 2-({1-Hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanimidic acid
| Molecular Formula | C29H39N3O6 |
| Molecular Weight | 525.2839 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 525.2839 Da |
| Heavy Atoms | 38 |
| Complexity | 757.0 |
| SMILES | CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C=O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CC(C)C |
| InChIKey | FWNXEHQYIWGYHB-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Tyrostatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Tyrostatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyrostatin has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tyrostatin is 121024-51-9.
The molecular formula of Tyrostatin is C29H39N3O6.
The molecular weight of Tyrostatin is 525.2839 g/mol.
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