N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid
TL;DR: N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid (CAS 150840-27-0) is a chemical compound with molecular formula C36H59NO4 and molecular weight 569.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(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]hexanoic acid
Also Known As: Betulinic acid NH-PenCOOH deriv., N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid, Hexanoic acid, 6-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-, 6-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}hexanoic acid, N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]-6-aminohexanoic acid
| Molecular Formula | C36H59NO4 |
|---|---|
| Molecular Weight | 569.44 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 569.4444 |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 150840-27-0 |
|---|---|
| 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)NCCCCCC(=O)O |
| InChIKey | QWFPGBOVYVBGPD-WUNWLKNYSA-N |
Product Overview
N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid (CAS 150840-27-0), with molecular formula C36H59NO4 and molecular weight 569.44 g/mol. IUPAC: 6-[[(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]hexanoic acid.
Chemical Property Profile of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid
Property Insights of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid
The XLogP value of 8.5 indicates that N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic 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)-6-aminohexanoic acid. Following Lipinski's Rule of Five, N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic 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)-6-aminohexanoic acid?
The CAS number of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid is 150840-27-0.
What is the molecular formula of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid?
The molecular formula of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid is C36H59NO4.
What is the molecular weight of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid?
The molecular weight of N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid is 569.44 g/mol.
Where can I buy N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid?
You can request a quote for N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic 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)-6-aminohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3beta-Hydroxylup-20(29)-en-28-oyl)-6-aminohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.