N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid
TL;DR: N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid (CAS 150840-33-8) is a chemical compound with molecular formula C41H67NO4 and molecular weight 637.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[[(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
Also Known As: Lupane, undecanoic acid deriv., Betulinic acid, 11-aminoundecanoate deriv., N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid, 3aH-Cyclopenta[a]chrysene, undecanoic acid deriv., Undecanoic acid, 11-((3,28-dioxolup-20(29)-en-28-yl)amino)-
| Molecular Formula | C41H67NO4 |
|---|---|
| Molecular Weight | 637.51 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 637.507 |
| Heavy Atoms | 46 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 150840-33-8 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)NCCCCCCCCCCC(=O)O |
| InChIKey | AKRJZYQHODPVQT-DSMRCAPUSA-N |
Product Overview
N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid (CAS 150840-33-8), with molecular formula C41H67NO4 and molecular weight 637.51 g/mol. IUPAC: 11-[[(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid.
Chemical Property Profile of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid
Property Insights of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid
The XLogP value of 10.9 indicates that N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid. Following Lipinski's Rule of Five, N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The CAS number of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is 150840-33-8.
What is the molecular formula of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The molecular formula of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is C41H67NO4.
What is the molecular weight of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The molecular weight of N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid is 637.51 g/mol.
Where can I buy N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
You can request a quote for N-(3alpha-Oxolup-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-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3alpha-Oxolup-20(29)-en-28-oyl)-11-aminoundecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.