TL;DR: RefChem:1096226 (CAS 15676-58-1) is a chemical compound with molecular formula C25H29NO5 and molecular weight 423.20456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine
Also Known As: 3-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-methylpiperidine maleate, Piperidine, 3-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-methyl-, maleate (1:1)
| Molecular Formula | C25H29NO5 |
| Molecular Weight | 423.20456 g/mol |
| XLogP | 3.6972 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.20456 Da |
| Heavy Atoms | 31 |
| Complexity | 479.0 |
| SMILES | CN1CCCC(C1)OC2C3=CC=CC=C3CCC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
| InChIKey | DKRPEPQULPOWBX-BTJKTKAUSA-N |
The XLogP value of 3.6972 indicates that RefChem:1096226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096226. Following Lipinski's Rule of Five, RefChem:1096226 has 2 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 RefChem:1096226 is 15676-58-1.
The molecular formula of RefChem:1096226 is C25H29NO5.
The molecular weight of RefChem:1096226 is 423.20456 g/mol.
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