TL;DR: CSPD (CAS 142456-88-0) is a chemical compound with molecular formula C18H22ClO7P and molecular weight 416.07916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(1-chloro-3'-methoxyspiro[adamantane-4,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate
Also Known As: CSPD, EX-A7038, 3-(2'-(Spiro-5-chloroadamantane))-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane, B2708-051725, 3-(4-Methoxyspiro(1,2-dioxetane-3,2'-(5'-chloro)tricyclo(3.3.1.1(3,7))decan)-4-yl)phenyl phosphate disodium
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H22ClO7P |
| Molecular Weight | 416.07916 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.07916 Da |
| Heavy Atoms | 27 |
| Complexity | 652.0 |
| SMILES | COC1(C2(C3CC4CC2CC(C4)(C3)Cl)OO1)C5=CC(=CC=C5)OP(=O)(O)O |
| InChIKey | QWXOJIDBSHLIFI-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CSPD. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CSPD. Following Lipinski's Rule of Five, CSPD 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 CSPD is 142456-88-0.
The molecular formula of CSPD is C18H22ClO7P.
The molecular weight of CSPD is 416.07916 g/mol.
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