TL;DR: Tadalafil (CAS 171596-29-5) is a chemical compound with molecular formula C22H19N3O4 and molecular weight 389.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: Tadalafil, Cialis, Tadanafil, ADCIRCA, Tadalafilo
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H19N3O4 |
| Molecular Weight | 389.13754 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.13754 Da |
| Heavy Atoms | 29 |
| Complexity | 702.0 |
| Melting Point | 301-302 °C |
| Vapor Pressure | 2.2X10-14 mm Hg at 25 °C /Estimated/ |
| Solubility | Practically insoluble in water |
| SMILES | CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 |
| InChIKey | WOXKDUGGOYFFRN-IIBYNOLFSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tadalafil. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tadalafil. Following Lipinski's Rule of Five, Tadalafil has 1 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 Tadalafil is 171596-29-5.
The molecular formula of Tadalafil is C22H19N3O4.
The molecular weight of Tadalafil is 389.13754 g/mol.
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