TL;DR: Cgp 54626A (CAS 149936-58-3) is a chemical compound with molecular formula C18H28Cl2NO3P and molecular weight 407.11838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid
Also Known As: CGP-54626 free base, CGP 54626A, Biomol-NT_000240, CGP 54626A (free base), Cgp 54626
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H28Cl2NO3P |
| Molecular Weight | 407.11838 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.11838 Da |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
| SMILES | C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O |
| InChIKey | JGGVBBYJRQOPPA-BBRMVZONSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cgp 54626A. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cgp 54626A. Following Lipinski's Rule of Five, Cgp 54626A 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 Cgp 54626A is 149936-58-3.
The molecular formula of Cgp 54626A is C18H28Cl2NO3P.
The molecular weight of Cgp 54626A is 407.11838 g/mol.
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