TL;DR: Lonapalene (CAS 91431-42-4) is a chemical compound with molecular formula C16H15ClO6 and molecular weight 338.05573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate
Also Known As: Lonapaleno, Lonapalenum, methotrexate, Lonapalenum [Latin], Lonapaleno [Spanish]
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H15ClO6 |
| Molecular Weight | 338.05573 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.05573 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | CC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C)OC)OC |
| InChIKey | IFWMVQUGSGWCRP-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Lonapalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Lonapalene. Following Lipinski's Rule of Five, Lonapalene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Lonapalene is 91431-42-4.
The molecular formula of Lonapalene is C16H15ClO6.
The molecular weight of Lonapalene is 338.05573 g/mol.
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