glycyrrhetinic acid 3-O-hemiphthalate
TL;DR: glycyrrhetinic acid 3-O-hemiphthalate (CAS 66067-20-7) is a chemical compound with molecular formula C38H48Na2O7 and molecular weight 662.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(2R,4aS,6aS,6bR,10S,12aS,14bS)-10-(2-carboxylatobenzoyl)oxy-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: GAHPh, Glycyrrhetinic acid 3-O-hemiphthalate, Olean-12-en-29-, glycyrrhetinic acid hemiphthalate, Glycyrrhetinic acid monohemiphthalate disodium
| Molecular Formula | C38H48Na2O7 |
|---|---|
| Molecular Weight | 662.32 g/mol |
| LogP | -0.6859 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 662.3195 |
| Heavy Atoms | 47 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 66067-20-7 |
|---|---|
| SMILES | C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+] |
| InChIKey | INOXKZRJJCCHEM-AONLVFIFSA-L |
Product Overview
glycyrrhetinic acid 3-O-hemiphthalate (CAS 66067-20-7), with molecular formula C38H48Na2O7 and molecular weight 662.32 g/mol. IUPAC: disodium;(2R,4aS,6aS,6bR,10S,12aS,14bS)-10-(2-carboxylatobenzoyl)oxy-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 glycyrrhetinic acid 3-O-hemiphthalate
Property Insights of glycyrrhetinic acid 3-O-hemiphthalate
The XLogP value of -0.6859 indicates that glycyrrhetinic acid 3-O-hemiphthalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for glycyrrhetinic acid 3-O-hemiphthalate. Following Lipinski's Rule of Five, glycyrrhetinic acid 3-O-hemiphthalate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of glycyrrhetinic acid 3-O-hemiphthalate?
The CAS number of glycyrrhetinic acid 3-O-hemiphthalate is 66067-20-7.
What is the molecular formula of glycyrrhetinic acid 3-O-hemiphthalate?
The molecular formula of glycyrrhetinic acid 3-O-hemiphthalate is C38H48Na2O7.
What is the molecular weight of glycyrrhetinic acid 3-O-hemiphthalate?
The molecular weight of glycyrrhetinic acid 3-O-hemiphthalate is 662.32 g/mol.
Where can I buy glycyrrhetinic acid 3-O-hemiphthalate?
You can request a quote for glycyrrhetinic acid 3-O-hemiphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for glycyrrhetinic acid 3-O-hemiphthalate?
Yes, KEHONG BIO provides custom synthesis services for glycyrrhetinic acid 3-O-hemiphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.