Methyl Glycyrrhetinate
TL;DR: Methyl Glycyrrhetinate (CAS 1477-44-7) 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 (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-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 glycyrrhetinate, Methyl glycyrrhetate, Methyl 18-beta-glycyrrhetate, 18ss-GLA methyl ester, Methyl 18-beta-glycyrrhetinate
| 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 | 1477-44-7 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OC |
| InChIKey | RMIVRCBSQPCSCQ-BDANYOJNSA-N |
Product Overview
Methyl Glycyrrhetinate (CAS 1477-44-7), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-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 Glycyrrhetinate
Property Insights of Methyl Glycyrrhetinate
The XLogP value of 6.7 indicates that Methyl 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 Glycyrrhetinate. Following Lipinski's Rule of Five, Methyl 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 Glycyrrhetinate?
The CAS number of Methyl Glycyrrhetinate is 1477-44-7.
What is the molecular formula of Methyl Glycyrrhetinate?
The molecular formula of Methyl Glycyrrhetinate is C31H48O4.
What is the molecular weight of Methyl Glycyrrhetinate?
The molecular weight of Methyl Glycyrrhetinate is 484.36 g/mol.
Where can I buy Methyl Glycyrrhetinate?
You can request a quote for Methyl Glycyrrhetinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Glycyrrhetinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Glycyrrhetinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.