TL;DR: Cbz-D-allo-isoleucine (CAS 127866-12-0) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Also Known As: Cbz-D-allo-isoleucine, Cbz-D-alloisoleucine, Benzyloxycarbonyl-D-alloisoleucine, Z-D-allo-Ile-OH, Cbz-D-Allo-Ile-OH
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.1314 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.1314 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | CC[C@H](C)[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | JSHXJPFZKBRLFU-CMPLNLGQSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cbz-D-allo-isoleucine. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cbz-D-allo-isoleucine. Following Lipinski's Rule of Five, Cbz-D-allo-isoleucine has 2 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 Cbz-D-allo-isoleucine is 127866-12-0.
The molecular formula of Cbz-D-allo-isoleucine is C14H19NO4.
The molecular weight of Cbz-D-allo-isoleucine is 265.1314 g/mol.
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