TL;DR: RefChem:276784 (CAS 52904-49-1) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Also Known As: 1-Ethoxycarbonyl-4-beta-methoxy-4-alpha-phenyl-3-alpha,5-alpha-propanopiperidine, syn-9-Methoxy-9-phenyl-3-azabicyclo(3.3.1)nonane-3-carboxylic acid ethyl ester, 3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, ethyl ester, syn-, ethyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate, BRN 1488671
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.18344 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.18344 Da |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)N1CC2CCCC(C1)C2(C3=CC=CC=C3)OC |
| InChIKey | AESIKVFHLLNBDG-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that RefChem:276784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:276784 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276784 has 0 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:276784 is 52904-49-1.
The molecular formula of RefChem:276784 is C18H25NO3.
The molecular weight of RefChem:276784 is 303.18344 g/mol.
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