TL;DR: Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)- (CAS 150840-36-1) is a chemical compound with molecular formula C41H69NO5 and molecular weight 655.5176 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,13aR,13bS)-9-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-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: Betulinic acid deriv., Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)-, 11-[[3beta,30-Dihydroxy-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid, 11-{[3,28,29-Trihydroxylup-20(30)-en-28-ylidene]amino}undecanoic acid, 11-{[3beta,28,29-Trihydroxylup-20(30)-en-28-ylidene]amino}undecanoic acid
| Molecular Formula | C41H69NO5 |
| Molecular Weight | 655.5176 g/mol |
| XLogP | 10.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 655.5176 Da |
| Heavy Atoms | 47 |
| Complexity | 1150.0 |
| SMILES | C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CO)C(=O)NCCCCCCCCCCC(=O)O |
| InChIKey | PHUINIJKUQYVRI-OMDZWSJNSA-N |
The XLogP value of 10.0 indicates that Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)-. Following Lipinski's Rule of Five, Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)- is 150840-36-1.
The molecular formula of Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)- is C41H69NO5.
The molecular weight of Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)- is 655.5176 g/mol.
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