Methyl beta-glycyrrhetinate
TL;DR: Methyl beta-glycyrrhetinate (CAS 5092-01-3) is a chemical compound with molecular formula C31H48O4 and molecular weight 484.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
Also Known As: Methyl beta-glycyrrhetinate, Methyl glycyrrhetate, Methyl 18-alpha-glycyrrhetate, GLYCYRRHETINICACIDMETHYLESTER,18-alpha-(SG)(PLEASECALL), 18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, methyl ester
| Molecular Formula | C31H48O4 |
|---|---|
| Molecular Weight | 484.36 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 980.0 |
Chemical Identifiers
| CAS Number | 5092-01-3 |
|---|---|
| SMILES | C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OC |
| InChIKey | RMIVRCBSQPCSCQ-SFGZHJQGSA-N |
Product Overview
Methyl beta-glycyrrhetinate (CAS 5092-01-3), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: methyl (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate.
Chemical Property Profile of Methyl beta-glycyrrhetinate
Property Insights of Methyl beta-glycyrrhetinate
The XLogP value of 6.7 indicates that Methyl beta-glycyrrhetinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl beta-glycyrrhetinate. Following Lipinski's Rule of Five, Methyl beta-glycyrrhetinate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl beta-glycyrrhetinate?
The CAS number of Methyl beta-glycyrrhetinate is 5092-01-3.
What is the molecular formula of Methyl beta-glycyrrhetinate?
The molecular formula of Methyl beta-glycyrrhetinate is C31H48O4.
What is the molecular weight of Methyl beta-glycyrrhetinate?
The molecular weight of Methyl beta-glycyrrhetinate is 484.36 g/mol.
Where can I buy Methyl beta-glycyrrhetinate?
You can request a quote for Methyl beta-glycyrrhetinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl beta-glycyrrhetinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl beta-glycyrrhetinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.