Bardoxolone
TL;DR: Bardoxolone (CAS 21979-62-4) is a chemical compound with molecular formula C31H41NO4 and molecular weight 491.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid
Also Known As: Bardoxolone, CDDO, Bardoxolona, bardoxolonum, CDDO acid
| Molecular Formula | C31H41NO4 |
|---|---|
| Molecular Weight | 491.30 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 491.30356 |
| Heavy Atoms | 36 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 21979-62-4 |
|---|---|
| SMILES | C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)O |
| InChIKey | TXGZJQLMVSIZEI-UQMAOPSPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bardoxolone (CAS 21979-62-4), with molecular formula C31H41NO4 and molecular weight 491.30 g/mol. IUPAC: (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid.
Chemical Property Profile of Bardoxolone
Property Insights of Bardoxolone
The XLogP value of 6.4 indicates that Bardoxolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bardoxolone. Following Lipinski's Rule of Five, Bardoxolone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bardoxolone?
The CAS number of Bardoxolone is 21979-62-4.
What is the molecular formula of Bardoxolone?
The molecular formula of Bardoxolone is C31H41NO4.
What is the molecular weight of Bardoxolone?
The molecular weight of Bardoxolone is 491.30 g/mol.
Where can I buy Bardoxolone?
You can request a quote for Bardoxolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bardoxolone?
Yes, KEHONG BIO provides custom synthesis services for Bardoxolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.