Methyl Betulinate
TL;DR: Methyl Betulinate (CAS 2259-06-5) 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 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Also Known As: Betulinic acid methyl ester, METHYL BETULINATE, Methyl betulate, methyl betuliate, betulinate, Methyl
| Molecular Formula | C31H50O3 |
|---|---|
| Molecular Weight | 470.38 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.376 |
| Heavy Atoms | 34 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 2259-06-5 |
|---|---|
| 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)O)C)C(=O)OC |
| InChIKey | XNZIMRUZBOZIBC-JVRMVBBZSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl Betulinate (CAS 2259-06-5), with molecular formula C31H50O3 and molecular weight 470.38 g/mol. IUPAC: methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate.
Chemical Property Profile of Methyl Betulinate
Property Insights of Methyl Betulinate
The XLogP value of 8.5 indicates that Methyl Betulinate 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 Betulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Betulinate 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 Betulinate?
The CAS number of Methyl Betulinate is 2259-06-5.
What is the molecular formula of Methyl Betulinate?
The molecular formula of Methyl Betulinate is C31H50O3.
What is the molecular weight of Methyl Betulinate?
The molecular weight of Methyl Betulinate is 470.38 g/mol.
Where can I buy Methyl Betulinate?
You can request a quote for Methyl Betulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Betulinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Betulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.