3-Oxoglycyrrhetinic acid
TL;DR: 3-Oxoglycyrrhetinic acid (CAS 7020-50-0) is a chemical compound with molecular formula C30H44O4 and molecular weight 468.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acid
Also Known As: 3-oxoglycyrrhetinic acid, 3-Oxoglycyrrhetinate, 3-ketoglycyrrhetinic acid, 3-Keto-glycyrrhetic acid, 3-oxo glycyrrhetinic acid
| Molecular Formula | C30H44O4 |
|---|---|
| Molecular Weight | 468.32 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 468.32397 |
| Heavy Atoms | 34 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 7020-50-0 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)O |
| InChIKey | QGWDYPREORDRIT-LPXJIFNVSA-N |
Product Overview
3-Oxoglycyrrhetinic acid (CAS 7020-50-0), with molecular formula C30H44O4 and molecular weight 468.32 g/mol. IUPAC: (2S,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acid.
Chemical Property Profile of 3-Oxoglycyrrhetinic acid
Property Insights of 3-Oxoglycyrrhetinic acid
The XLogP value of 6.1 indicates that 3-Oxoglycyrrhetinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxoglycyrrhetinic acid. Following Lipinski's Rule of Five, 3-Oxoglycyrrhetinic acid 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 3-Oxoglycyrrhetinic acid?
The CAS number of 3-Oxoglycyrrhetinic acid is 7020-50-0.
What is the molecular formula of 3-Oxoglycyrrhetinic acid?
The molecular formula of 3-Oxoglycyrrhetinic acid is C30H44O4.
What is the molecular weight of 3-Oxoglycyrrhetinic acid?
The molecular weight of 3-Oxoglycyrrhetinic acid is 468.32 g/mol.
Where can I buy 3-Oxoglycyrrhetinic acid?
You can request a quote for 3-Oxoglycyrrhetinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxoglycyrrhetinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxoglycyrrhetinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.