Methyl Ursolate
TL;DR: Methyl Ursolate (CAS 915-32-2) 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 (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Also Known As: Methyl ursolate, Ursolic acid methyl ester, methylursolate, Ursolic acid methylester, Ursolic acid, methyl ester
| Molecular Formula | C31H50O3 |
|---|---|
| Molecular Weight | 470.38 g/mol |
| LogP | 7.7 |
| 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 | 889.0 |
Chemical Identifiers
| CAS Number | 915-32-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC |
| InChIKey | YCBSMEKEDOHEQI-QHQGJMPNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl Ursolate (CAS 915-32-2), with molecular formula C31H50O3 and molecular weight 470.38 g/mol. IUPAC: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate.
Chemical Property Profile of Methyl Ursolate
Property Insights of Methyl Ursolate
The XLogP value of 7.7 indicates that Methyl Ursolate 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 Ursolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Ursolate 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 Ursolate?
The CAS number of Methyl Ursolate is 915-32-2.
What is the molecular formula of Methyl Ursolate?
The molecular formula of Methyl Ursolate is C31H50O3.
What is the molecular weight of Methyl Ursolate?
The molecular weight of Methyl Ursolate is 470.38 g/mol.
Where can I buy Methyl Ursolate?
You can request a quote for Methyl Ursolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Ursolate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Ursolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.