TL;DR: Alvimopan diastereomer 1 (CAS 156053-89-3) is a chemical compound with molecular formula C25H32N2O4 and molecular weight 424.2362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
Also Known As: Alvimopan, Alvimopan Impurity G, Alvimopan diastereomer 1, Alvimopan impurity 8, (2R,3R,4R)-Alvimopan
| Molecular Formula | C25H32N2O4 |
| Molecular Weight | 424.2362 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.2362 Da |
| Heavy Atoms | 31 |
| Complexity | 606.0 |
| SMILES | C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)O |
| InChIKey | UPNUIXSCZBYVBB-DMJCMNNJSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alvimopan diastereomer 1. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Alvimopan diastereomer 1. Following Lipinski's Rule of Five, Alvimopan diastereomer 1 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Alvimopan diastereomer 1 is 156053-89-3.
The molecular formula of Alvimopan diastereomer 1 is C25H32N2O4.
The molecular weight of Alvimopan diastereomer 1 is 424.2362 g/mol.
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