TL;DR: N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid (CAS 150840-49-6) is a chemical compound with molecular formula C40H67NO5 and molecular weight 641.50195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
Also Known As: 30-Norlupane, undecanoic acid deriv., Betulinic acid, 11-aminoundecanoate deriv., 3aH-Cyclopenta[a]chrysene, undecanoic acid deriv., N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid, Undecanoic acid, 11-(((3beta)-3-hydroxy-20,28-dioxo-30-norlupan-28-yl)amino)-
| Molecular Formula | C40H67NO5 |
| Molecular Weight | 641.50195 g/mol |
| XLogP | 9.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 641.50195 Da |
| Heavy Atoms | 46 |
| Complexity | 1130.0 |
| SMILES | CC(=O)[C@@H]1CC[C@]2([C@H]1C3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCCCCC(=O)O |
| InChIKey | GAVBICAHSHTFPO-QPPLJHNISA-N |
The XLogP value of 9.2 indicates that N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid. Following Lipinski's Rule of Five, N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid is 150840-49-6.
The molecular formula of N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid is C40H67NO5.
The molecular weight of N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid is 641.50195 g/mol.
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