TL;DR: Isostatin (CAS 114607-51-1) is a chemical compound with molecular formula C8H17NO3 and molecular weight 175.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S,5S)-4-amino-3-hydroxy-5-methylheptanoic acid
Also Known As: Isostatin, L-Isostatine B, (3R,4S,5S)-4-amino-3-hydroxy-5-methylheptanoic acid, Heptanoic acid, 4-amino-3-hydroxy-5-methyl-, (3R*,4S*,5S*)-
| Molecular Formula | C8H17NO3 |
| Molecular Weight | 175.12085 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 175.12085 Da |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)O)O)N |
| InChIKey | NUOADXFOULDPJQ-BBVRLYRLSA-N |
The XLogP value of -2.4 indicates that Isostatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isostatin. Following Lipinski's Rule of Five, Isostatin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isostatin is 114607-51-1.
The molecular formula of Isostatin is C8H17NO3.
The molecular weight of Isostatin is 175.12085 g/mol.
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