TL;DR: Z-Asp-CH2-DCB (CAS 153088-73-4) is a chemical compound with molecular formula C20H17Cl2NO7 and molecular weight 453.0382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-5-(2,6-dichlorobenzoyl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
Also Known As: Z-Asp-CH2-DCB, ICE Inhibitor V, Caspase-1 Inhibitor V, z-D-dbmk, Z-Asp-2,6-dichlorobenzoyloxymethylketone
| Molecular Formula | C20H17Cl2NO7 |
| Molecular Weight | 453.0382 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.0382 Da |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl |
| InChIKey | FKJMFCOMZYPWCO-HNNXBMFYSA-N |
The XLogP value of 3.6 indicates that Z-Asp-CH2-DCB is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Z-Asp-CH2-DCB. Following Lipinski's Rule of Five, Z-Asp-CH2-DCB has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Z-Asp-CH2-DCB is 153088-73-4.
The molecular formula of Z-Asp-CH2-DCB is C20H17Cl2NO7.
The molecular weight of Z-Asp-CH2-DCB is 453.0382 g/mol.
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