Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate
TL;DR: Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate (CAS 65883-50-3) 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] 3-phenylprop-2-enoate
Also Known As: Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate, Lup-20(29)-en-3-ol, 3-(3-phenyl-2-propenoate), (3beta)-, Lup-20(29)-en-3-ol, 3-(3-phenyl-2-propenoate), (3I(2))-
| Molecular Formula | C39H56O2 |
|---|---|
| Molecular Weight | 556.43 g/mol |
| LogP | 12.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 556.42804 |
| Heavy Atoms | 41 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 65883-50-3 |
|---|---|
| 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=CC6=CC=CC=C6)C)C |
| InChIKey | HHCSYPMWJQHCMZ-HBHILWERSA-N |
Product Overview
Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate (CAS 65883-50-3), 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] 3-phenylprop-2-enoate.
Chemical Property Profile of Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate
Property Insights of Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate
The XLogP value of 12.5 indicates that Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate 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 Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate?
The CAS number of Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate is 65883-50-3.
What is the molecular formula of Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate?
The molecular formula of Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate is C39H56O2.
What is the molecular weight of Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate?
The molecular weight of Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate is 556.43 g/mol.
Where can I buy Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate?
You can request a quote for Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.