Bardoxolone Methyl
TL;DR: Bardoxolone Methyl (CAS 21980-07-4) is a chemical compound with molecular formula C32H43NO4 and molecular weight 505.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (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-carboxylate
Also Known As: Bardoxolone methyl, CDDO methyl ester, CDDO-Me, CDDO-Methyl ester, bardoxolone-methyl
| Molecular Formula | C32H43NO4 |
|---|---|
| Molecular Weight | 505.32 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 505.3192 |
| Heavy Atoms | 37 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 21980-07-4 |
|---|---|
| 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)OC |
| InChIKey | WPTTVJLTNAWYAO-KPOXMGGZSA-N |
Product Overview
Bardoxolone Methyl (CAS 21980-07-4), with molecular formula C32H43NO4 and molecular weight 505.32 g/mol. IUPAC: methyl (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-carboxylate.
Chemical Property Profile of Bardoxolone Methyl
Property Insights of Bardoxolone Methyl
The XLogP value of 6.7 indicates that Bardoxolone Methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bardoxolone Methyl. Following Lipinski's Rule of Five, Bardoxolone Methyl has 0 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 Methyl?
The CAS number of Bardoxolone Methyl is 21980-07-4.
What is the molecular formula of Bardoxolone Methyl?
The molecular formula of Bardoxolone Methyl is C32H43NO4.
What is the molecular weight of Bardoxolone Methyl?
The molecular weight of Bardoxolone Methyl is 505.32 g/mol.
Where can I buy Bardoxolone Methyl?
You can request a quote for Bardoxolone Methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bardoxolone Methyl?
Yes, KEHONG BIO provides custom synthesis services for Bardoxolone Methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.