Lupeol trans-cinnamate
TL;DR: Lupeol trans-cinnamate (CAS 66609-69-6) is a chemical compound with molecular formula C39H56O2 and molecular weight 556.43 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] (E)-3-phenylprop-2-enoate
Also Known As: Lupeol trans-cinnamate, lupeol cinnamate, lupenyl cinnamate, Lupa-20(29)-ene-3beta-ol trans-cinnamate, J1.328.059B
| Molecular Formula | C39H56O2 |
|---|---|
| Molecular Weight | 556.43 g/mol |
| LogP | 10.2891 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 556.42804 |
| Heavy Atoms | 41 |
| Complexity | 1211.1812 |
Chemical Identifiers
| CAS Number | 66609-69-6 |
|---|---|
| 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)OC(=O)/C=C/C6=CC=CC=C6)C)C |
Product Overview
Lupeol trans-cinnamate (CAS 66609-69-6), with molecular formula C39H56O2 and molecular weight 556.43 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] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Lupeol trans-cinnamate
Property Insights of Lupeol trans-cinnamate
The XLogP value of 10.2891 indicates that Lupeol trans-cinnamate 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 trans-cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupeol trans-cinnamate 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 trans-cinnamate?
The CAS number of Lupeol trans-cinnamate is 66609-69-6.
What is the molecular formula of Lupeol trans-cinnamate?
The molecular formula of Lupeol trans-cinnamate is C39H56O2.
What is the molecular weight of Lupeol trans-cinnamate?
The molecular weight of Lupeol trans-cinnamate is 556.43 g/mol.
Where can I buy Lupeol trans-cinnamate?
You can request a quote for Lupeol trans-cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupeol trans-cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Lupeol trans-cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.