TL;DR: Dehydroleucine (CAS 113586-23-5) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-amino-4-methylpent-2-enoic acid
Also Known As: Dehydroleucine, delta(Z)-Leucine, Hydantoin Impurity 9, Hydantoin Impurity 12, (Z)-2-amino-4-methylpent-2-enoic acid
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.07898 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.07898 Da |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
| SMILES | CC(C)/C=C(/C(=O)O)\N |
| InChIKey | TYAFIFFKPSWZRM-HYXAFXHYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroleucine. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroleucine. Following Lipinski's Rule of Five, Dehydroleucine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dehydroleucine is 113586-23-5.
The molecular formula of Dehydroleucine is C6H11NO2.
The molecular weight of Dehydroleucine is 129.07898 g/mol.
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