Methyl Oleanolate
TL;DR: Methyl Oleanolate (CAS 1724-17-0) is a chemical compound with molecular formula C31H50O3 and molecular weight 470.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Methyl oleanolate, Methyloleanolate, oleanolic acid methyl ester, Oleanolic acid methylester, Oleanolic acid, methyl ester
| Molecular Formula | C31H50O3 |
|---|---|
| Molecular Weight | 470.38 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.376 |
| Heavy Atoms | 34 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 1724-17-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C)O |
| InChIKey | BTXWOKJOAGWCSN-JBYJGCOVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl Oleanolate (CAS 1724-17-0), with molecular formula C31H50O3 and molecular weight 470.38 g/mol. IUPAC: methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Methyl Oleanolate
Property Insights of Methyl Oleanolate
The XLogP value of 7.8 indicates that Methyl Oleanolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl Oleanolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Oleanolate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl Oleanolate?
The CAS number of Methyl Oleanolate is 1724-17-0.
What is the molecular formula of Methyl Oleanolate?
The molecular formula of Methyl Oleanolate is C31H50O3.
What is the molecular weight of Methyl Oleanolate?
The molecular weight of Methyl Oleanolate is 470.38 g/mol.
Where can I buy Methyl Oleanolate?
You can request a quote for Methyl Oleanolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Oleanolate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Oleanolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.