CAS RN: 218600-44-3
Bardoxolone
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250831 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251209 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251017 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251201 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250307 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250415 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-105328
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
218600-44-3 / (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
Basic Information
CAS
218600-44-3
Multi CAS
No
Molecular Formula
C31H41NO4
Molecular Weight
491.700000
Exact Mass
491.303559
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
InChI
InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1
InChIKey
TXGZJQLMVSIZEI-UQMAOPSPSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.74
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
136.53
TPSA
95.23
LogP / Solubility
WLOGP
6.29
MLOGP
5.57
XLogP3
6.4
Consensus LogP
6.09
Log S (ESOL)
-6.79
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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![CAS 218600-52-3 (4aS,6aR,6bS,13aS,15aR,15bR)-Methyl 2,2,6a,6b,9,9,13a-heptaMethyl-15-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,15,15a,15b-octadecahydropiceno[2,3-d]isoxazole-4a-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/218600-52-3.gif)
