CAS RN: 882290-02-0
SC-99
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250513 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260608 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251114 | 1g | Out of stock | Inquiry | |
| Batchno.20250402 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250126 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250907 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260620 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS882290-02-0
- Purity/Analytical Methods: >99.0%
882290-02-0 / N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
Basic Information
CAS
882290-02-0
Multi CAS
Yes
Molecular Formula
C15H8CL2FN3O
Molecular Weight
336.100000
Exact Mass
335.002845
InChI
InChI=1S/C15H8Cl2FN3O/c16-10-3-1-9(2-4-10)15(22)14(8-19)21-20-11-5-6-13(18)12(17)7-11/h1-7,20H/b21-14+
InChIKey
ZKULFSMYRSFHKE-KGENOOAVSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.86
TPSA
65.25
LogP / Solubility
WLOGP
4.31
MLOGP
3.81
XLogP3
6.3
Consensus LogP
4.81
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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