Lupeol palmitate
TL;DR: Lupeol palmitate (CAS 37220-91-0) is a chemical compound with molecular formula C46H80O2 and molecular weight 664.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-9-yl] hexadecanoate
Also Known As: Lupeol palmitate, Lupenyl palmitate, Balanophorin B, sambuculin a, Lupeolpalmitate
| Molecular Formula | C46H80O2 |
|---|---|
| Molecular Weight | 664.62 g/mol |
| LogP | 17.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 664.61584 |
| Heavy Atoms | 48 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 37220-91-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)C(=C)C)C |
| InChIKey | BWXDHBQGBNPJMN-VBHWJLTNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lupeol palmitate (CAS 37220-91-0), with molecular formula C46H80O2 and molecular weight 664.62 g/mol. IUPAC: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-9-yl] hexadecanoate.
Chemical Property Profile of Lupeol palmitate
Property Insights of Lupeol palmitate
The XLogP value of 17.8 indicates that Lupeol palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Lupeol palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupeol palmitate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lupeol palmitate?
The CAS number of Lupeol palmitate is 37220-91-0.
What is the molecular formula of Lupeol palmitate?
The molecular formula of Lupeol palmitate is C46H80O2.
What is the molecular weight of Lupeol palmitate?
The molecular weight of Lupeol palmitate is 664.62 g/mol.
Where can I buy Lupeol palmitate?
You can request a quote for Lupeol palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupeol palmitate?
Yes, KEHONG BIO provides custom synthesis services for Lupeol palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.