N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid
TL;DR: N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid (CAS 174740-41-1) is a chemical compound with molecular formula C33H53NO4 and molecular weight 527.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(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]chrysene-3a-carbonyl]amino]propanoic acid
Also Known As: Betulinic acid NHEtCOOH deriv., N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid, beta-Alanine, N-((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)-, N-[3,28-Dihydroxylup-20(29)-en-28-ylidene]-beta-alanine, N-[3beta,28-Dihydroxylup-20(29)-en-28-ylidene]-beta-alanine
| Molecular Formula | C33H53NO4 |
|---|---|
| Molecular Weight | 527.40 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.39746 |
| Heavy Atoms | 38 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 174740-41-1 |
|---|---|
| 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)C(=O)NCCC(=O)O |
| InChIKey | ADFFYCORFPMQQE-ISCFYSBKSA-N |
Product Overview
N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid (CAS 174740-41-1), with molecular formula C33H53NO4 and molecular weight 527.40 g/mol. IUPAC: 3-[[(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]chrysene-3a-carbonyl]amino]propanoic acid.
Chemical Property Profile of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid
Property Insights of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid
The XLogP value of 7.5 indicates that N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid. Following Lipinski's Rule of Five, N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid has 3 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-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid?
The CAS number of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid is 174740-41-1.
What is the molecular formula of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid?
The molecular formula of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid is C33H53NO4.
What is the molecular weight of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid?
The molecular weight of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid is 527.40 g/mol.
Where can I buy N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid?
You can request a quote for N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic 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-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3beta-Hydroxylup-20(29)-en-28-oyl)-3-aminopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.