![CAS 1256245-84-7 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(8α,9S)-6′-Methoxycinchonan-9-yl]aMino]- 3-Cyclobutene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256245-84-7.gif)
CAS RN: 1256245-84-7
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(8α,9S)-6′-Methoxycinchonan-9-yl]aMino]- 3-Cyclobutene-1,2-dione
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260220 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250809 | 100g | Out of stock | Inquiry | ||
| Batchno.20260627 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250201 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250927 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260429 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250911 | 25g | Out of stock | Inquiry | ||
| Batchno.20250221 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250629 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-030392
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 | Hong Kong | Inquiry |
1256245-84-7 / 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione
Basic Information
CAS
1256245-84-7
Multi CAS
No
Molecular Formula
C32H28F6N4O3
Molecular Weight
630.600000
Exact Mass
630.206560
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)NC5=C(C(=O)C5=O)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C32H28F6N4O3/c1-3-16-15-42-9-7-17(16)10-25(42)26(22-6-8-39-24-5-4-21(45-2)14-23(22)24)41-28-27(29(43)30(28)44)40-20-12-18(31(33,34)35)11-19(13-20)32(36,37)38/h3-6,8,11-14,16-17,25-26,40-41H,1,7,9-10,15H2,2H3/t16-,17-,25-,26-/m0/s1
InChIKey
RWVDHFLTDHDJKH-FRSFCCSCSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
20
Fraction Csp3
0.34
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
157.51
TPSA
83.56
LogP / Solubility
WLOGP
6.67
MLOGP
5.92
XLogP3
6.6
Consensus LogP
6.4
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-9.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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