TL;DR: IDAVERINE (CAS 100927-13-7) is a chemical compound with molecular formula C24H39N3O3 and molecular weight 417.29913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
Also Known As: IDAVERINE, Idaverinum, Idaverina, Idaverine [INN], Idaverinum [Latin]
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H39N3O3 |
| Molecular Weight | 417.29913 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.29913 Da |
| Heavy Atoms | 30 |
| Complexity | 524.0 |
| SMILES | CCN(CCCC(=O)N1CCC(CC1)C(=O)N(C)C)C(C)CC2=CC=C(C=C2)OC |
| InChIKey | FUWZBLSXACKFQX-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDAVERINE. With a topological polar surface area (TPSA) of 53.1 Ų, IDAVERINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDAVERINE 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 IDAVERINE is 100927-13-7.
The molecular formula of IDAVERINE is C24H39N3O3.
The molecular weight of IDAVERINE is 417.29913 g/mol.
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