TL;DR: Serpentine (CAS 131-07-7) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
Also Known As: Serpentine, Serpentine (alkaloid), Schweizerite, Serpentin, serpentine(van)
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H20N2O3 |
| Molecular Weight | 348.1474 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1474 Da |
| Heavy Atoms | 26 |
| Complexity | 606.0 |
| SMILES | C[C@H]1[C@H]2CN3C=CC4=C5C=CC=CC5=NC4=C3C[C@@H]2C(=CO1)C(=O)OC |
| InChIKey | WYTGDNHDOZPMIW-VBNZEHGJSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Serpentine. With a topological polar surface area (TPSA) of 53.4 Ų, Serpentine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Serpentine has 0 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 Serpentine is 131-07-7.
The molecular formula of Serpentine is C21H20N2O3.
The molecular weight of Serpentine is 348.1474 g/mol.
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