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CAS RN: 1400284-80-1
CCT251455
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250330 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250204 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250925 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260222 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250801 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1400284-80-1
- Purity/Analytical Methods: >99.0%
1400284-80-1 / tert-butyl 6-[2-chloro-4-(3-methylimidazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
Basic Information
CAS
1400284-80-1
Multi CAS
No
Molecular Formula
C26H26ClN7O2
Molecular Weight
504.000000
Exact Mass
503.183651
SMILES
CC(C)(C)OC(=O)N1C(=CC2=CN=C(C=C21)NC3=C(C=C(C=C3)C4=CN=CN4C)Cl)C5=CN(N=C5)C
InChI
InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-21(18-12-30-33(5)14-18)9-17-11-29-24(10-22(17)34)31-20-7-6-16(8-19(20)27)23-13-28-15-32(23)4/h6-15H,1-5H3,(H,29,31)
InChIKey
BXKNUXDLZJPPBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
25
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
140.5
TPSA
91.79
LogP / Solubility
WLOGP
6.02
MLOGP
5.33
XLogP3
4.4
Consensus LogP
5.25
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 1400580-14-4 6-bromo-4-chloropyrrolo[1,2-b]pyridazine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1400580-14-4(2).gif)
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![CAS 1400589-53-8 4-Morpholinecarboxylicacid,2-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-,1,1-dimethylethylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1400589-53-8(2).gif)