TL;DR: Cycloprothrin (CAS 63935-38-6) is a chemical compound with molecular formula C26H21Cl2NO4 and molecular weight 481.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
Also Known As: Cycloprothrin, Phencyclate, Cyclosal, Bakuwang, Cycloprothrin [ISO]
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H21Cl2NO4 |
| Molecular Weight | 481.08478 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.08478 Da |
| Heavy Atoms | 33 |
| Complexity | 723.0 |
| SMILES | CCOC1=CC=C(C=C1)C2(CC2(Cl)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | CGTWCAVZZBLHQH-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that Cycloprothrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycloprothrin. Following Lipinski's Rule of Five, Cycloprothrin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cycloprothrin is 63935-38-6.
The molecular formula of Cycloprothrin is C26H21Cl2NO4.
The molecular weight of Cycloprothrin is 481.08478 g/mol.
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