Betulinic acid, 11-aminoundecanoate deriv.
TL;DR: Betulinic acid, 11-aminoundecanoate deriv. (CAS 150840-88-3) is a chemical compound with molecular formula C43H74N2O5 and molecular weight 698.55975 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-(2-hydroxyethylamino)prop-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, 11-aminoundecanoate deriv., N-(3beta-Hydroxy-30-((2'-hydroxyethyl)amino)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid, Undecanoic acid, 11-(((3beta)-3-hydroxy-30-((2-hydroxyethyl)amino)-28-oxolup-20(29)-en-28-yl)amino)-, 11-({3,28-Dihydroxy-29-[(2-hydroxyethyl)amino]lup-20(30)-en-28-ylidene}amino)undecanoic acid, 11-({3beta,28-Dihydroxy-29-[(2-hydroxyethyl)amino]lup-20(30)-en-28-ylidene}amino)undecanoic acid
Technical Specifications
| Molecular Formula | C43H74N2O5 |
| Molecular Weight | 698.55975 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 698.55975 Da |
| Heavy Atoms | 50 |
| Complexity | 1200.0 |
| 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)CNCCO)C(=O)NCCCCCCCCCCC(=O)O |
| InChIKey | APXSNOBWUOFVSY-LBPZTPFYSA-N |
Chemical Property Profile of Betulinic acid, 11-aminoundecanoate deriv.
Property Insights of Betulinic acid, 11-aminoundecanoate deriv.
The XLogP value of 7.3 indicates that Betulinic acid, 11-aminoundecanoate deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Betulinic acid, 11-aminoundecanoate deriv.. Following Lipinski's Rule of Five, Betulinic acid, 11-aminoundecanoate deriv. has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Betulinic acid, 11-aminoundecanoate deriv.?
The CAS number of Betulinic acid, 11-aminoundecanoate deriv. is 150840-88-3.
What is the molecular formula of Betulinic acid, 11-aminoundecanoate deriv.?
The molecular formula of Betulinic acid, 11-aminoundecanoate deriv. is C43H74N2O5.
What is the molecular weight of Betulinic acid, 11-aminoundecanoate deriv.?
The molecular weight of Betulinic acid, 11-aminoundecanoate deriv. is 698.55975 g/mol.
Where can I buy Betulinic acid, 11-aminoundecanoate deriv.?
You can request a quote for Betulinic acid, 11-aminoundecanoate deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Betulinic acid, 11-aminoundecanoate deriv.?
Yes, CoreyChem provides custom synthesis services for Betulinic acid, 11-aminoundecanoate deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.