TL;DR: RefChem:326056 (CAS 105124-60-5) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]ethanol
Also Known As: Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-ethanol, 2,3,4,4a,5,6,7,11b-octahydro-, (E)-, (E)-2,3,4,4a,5,6,7,11b-Octahydrobenzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-ethanol, 2-[(4aS,11bS)-2,3,5,6,7,11b-Hexahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazin-4(4aH)-yl]ethan-1-ol
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.15723 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.15723 Da |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| SMILES | C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCCN2CCO |
| InChIKey | WBMMUEREUTVEDA-GJZGRUSLSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326056. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:326056 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326056 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:326056 is 105124-60-5.
The molecular formula of RefChem:326056 is C15H21NO2.
The molecular weight of RefChem:326056 is 247.15723 g/mol.
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