N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid
TL;DR: N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid (CAS 150840-87-2) is a chemical compound with molecular formula C45H76N2O4 and molecular weight 708.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)-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-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid, Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxo-30-(1-pyrrolidinyl)lup-20(29)-en-28-yl)amino)-, 11-[[3beta-Hydroxy-30-(pyrrolidin-1-yl)-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid, 11-{[3,28-Dihydroxy-29-(pyrrolidin-1-yl)lup-20(30)-en-28-ylidene]amino}undecanoic acid
| Molecular Formula | C45H76N2O4 |
|---|---|
| Molecular Weight | 708.58 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 708.5805 |
| Heavy Atoms | 51 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 150840-87-2 |
|---|---|
| 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)CN6CCCC6)C(=O)NCCCCCCCCCCC(=O)O |
| InChIKey | HKTYZRFGHVZYAO-PIGSMCEDSA-N |
Product Overview
N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid (CAS 150840-87-2), with molecular formula C45H76N2O4 and molecular weight 708.58 g/mol. IUPAC: 11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid.
Chemical Property Profile of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid
Property Insights of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid
The XLogP value of 8.9 indicates that N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid. Following Lipinski's Rule of Five, N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The CAS number of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is 150840-87-2.
What is the molecular formula of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The molecular formula of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is C45H76N2O4.
What is the molecular weight of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The molecular weight of N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is 708.58 g/mol.
Where can I buy N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
You can request a quote for N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.