Methyl oleanonate
TL;DR: Methyl oleanonate (CAS 1721-58-0) is a chemical compound with molecular formula C31H48O3 and molecular weight 468.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Also Known As: Methyl oleanonate, 1-tosylpiperidine, 1-(p-Tolylsulfonyl)piperidine, N-(p-Tolylsulfonyl)piperidine, 1-(p-Tolylsulfonyl)-Piperidine
| Molecular Formula | C31H48O3 |
|---|---|
| Molecular Weight | 468.36 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.36035 |
| Heavy Atoms | 34 |
| Complexity | 942.0 |
Chemical Identifiers
| CAS Number | 1721-58-0 |
|---|---|
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)OC)C |
| InChIKey | PPMUFCXCVKVCSV-UHFFFAOYSA-N |
Product Overview
Methyl oleanonate (CAS 1721-58-0), with molecular formula C31H48O3 and molecular weight 468.36 g/mol. IUPAC: methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate.
Chemical Property Profile of Methyl oleanonate
Property Insights of Methyl oleanonate
The XLogP value of 7.5 indicates that Methyl oleanonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl oleanonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl oleanonate has 0 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 oleanonate?
The CAS number of Methyl oleanonate is 1721-58-0.
What is the molecular formula of Methyl oleanonate?
The molecular formula of Methyl oleanonate is C31H48O3.
What is the molecular weight of Methyl oleanonate?
The molecular weight of Methyl oleanonate is 468.36 g/mol.
Where can I buy Methyl oleanonate?
You can request a quote for Methyl oleanonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl oleanonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl oleanonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.