TL;DR: RefChem:1067347 (CAS 73855-70-6) is a chemical compound with molecular formula C27H38ClNO and molecular weight 427.2642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-(4-butylphenyl)-1-phenylpropan-1-ol chloride
Also Known As: 3-Azabicyclo(3.2.2)nonane-3-propanol, alpha-(p-butylphenyl)-alpha-phenyl-, hydrochloride, alpha-(p-Butylphenyl)-alpha-phenyl-3-azabicyclo(3.2.2)nonane-3-propanol hydrochloride, 3-Azabicyclo(3.2.2)nonane-3-propanol, alpha-(4-butylphenyl)-alpha-phenyl-, hydrochloride, 3-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-(4-butylphenyl)-1-phenylpropan-1-ol chloride, 3-Azabicyclo[3.2.2]nonane-3-propanol, .alpha.-(4-butylphenyl)-.alpha.-phenyl-, hydrochloride
| Molecular Formula | C27H38ClNO |
| Molecular Weight | 427.2642 g/mol |
| XLogP | 1.36 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.2642 Da |
| Heavy Atoms | 30 |
| Complexity | 457.0 |
| SMILES | CCCCC1=CC=C(C=C1)C(CC[NH+]2CC3CCC(C2)CC3)(C4=CC=CC=C4)O.[Cl-] |
| InChIKey | SRYSZBVMUKLKKU-UHFFFAOYSA-N |
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1067347. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:1067347 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067347 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1067347 is 73855-70-6.
The molecular formula of RefChem:1067347 is C27H38ClNO.
The molecular weight of RefChem:1067347 is 427.2642 g/mol.
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