Lupenone
TL;DR: Lupenone (CAS 1617-70-5) is a chemical compound with molecular formula C30H48O and molecular weight 424.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Also Known As: LUPENONE, lupeone, Lup-20(29)-en-3-one, 18-Lupen-3-one, 4-hydroxybenzyl aldehyde
| Molecular Formula | C30H48O |
|---|---|
| Molecular Weight | 424.37 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 424.3705 |
| Heavy Atoms | 31 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 1617-70-5 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C |
| InChIKey | GRBHNQFQFHLCHO-BHMAJAPKSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lupenone (CAS 1617-70-5), with molecular formula C30H48O and molecular weight 424.37 g/mol. IUPAC: (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one.
Chemical Property Profile of Lupenone
Property Insights of Lupenone
The XLogP value of 9.6 indicates that Lupenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Lupenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lupenone?
The CAS number of Lupenone is 1617-70-5.
What is the molecular formula of Lupenone?
The molecular formula of Lupenone is C30H48O.
What is the molecular weight of Lupenone?
The molecular weight of Lupenone is 424.37 g/mol.
Where can I buy Lupenone?
You can request a quote for Lupenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupenone?
Yes, KEHONG BIO provides custom synthesis services for Lupenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.