TL;DR: RefChem:305559 (CAS 73927-66-9) is a chemical compound with molecular formula C21H26ClN and molecular weight 327.17538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)butan-2-yl]azanium chloride
Also Known As: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-dimethylaminobutylidene)-, hydrochloride, 5-(gamma-Dimethylaminobutylidene) dibenzo(a,d)cyclohepta(1,4)diene hydrochloride, 10,11-Dihydro-5-(3-dimethylaminobutylidene)-5H-dibenzo(a,d)cycloheptene hydrochloride, 2-Butanamine, 4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride
| Molecular Formula | C21H26ClN |
| Molecular Weight | 327.17538 g/mol |
| XLogP | 0.14 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.17538 Da |
| Heavy Atoms | 23 |
| Complexity | 357.0 |
| SMILES | CC(CC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[NH+](C)C.[Cl-] |
| InChIKey | IPWHJVIMIXDXDX-UHFFFAOYSA-N |
The XLogP value of 0.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305559. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:305559 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305559 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:305559 is 73927-66-9.
The molecular formula of RefChem:305559 is C21H26ClN.
The molecular weight of RefChem:305559 is 327.17538 g/mol.
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