N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid
TL;DR: N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid (CAS 173106-48-4) is a chemical compound with molecular formula C40H68N2O4 and molecular weight 640.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]carbamoylamino]decanoic acid
Also Known As: Betulinic acid, 11-ureidodecanoate deriv., N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid, Decanoic acid, 10-(((((3beta)-3-hydroxy-28-norlup-20(29)-en-17-yl)amino)carbonyl)amino)-, N-[3.beta.-Hydroxy-28-norlup-20(29)-en-28-oyl]-11-aminoundecanoic acid, 10-[(Hydroxy{[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysen-3a-yl]amino}methylidene)amino]decanoic acid
| Molecular Formula | C40H68N2O4 |
|---|---|
| Molecular Weight | 640.52 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 640.5179 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 173106-48-4 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)NC(=O)NCCCCCCCCCC(=O)O |
| InChIKey | AZGPQXCLZZYEES-IJMADOHJSA-N |
Product Overview
N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid (CAS 173106-48-4), with molecular formula C40H68N2O4 and molecular weight 640.52 g/mol. IUPAC: 10-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]carbamoylamino]decanoic acid.
Chemical Property Profile of N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid
Property Insights of N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid
The XLogP value of 10.2 indicates that N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid. Following Lipinski's Rule of Five, N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid has 4 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-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The CAS number of N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid is 173106-48-4.
What is the molecular formula of N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The molecular formula of N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid is C40H68N2O4.
What is the molecular weight of N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
The molecular weight of N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid is 640.52 g/mol.
Where can I buy N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
You can request a quote for N-(3beta-Hydroxy-28-norlup-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-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3beta-Hydroxy-28-norlup-20(29)-en-28-oyl)-11-aminoundecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.