CAS RN: 1797432-62-2
Tyk2-IN-5
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260123 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1797432-62-2
- Purity/Analytical Methods: >99.0%
1797432-62-2 / N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
Basic Information
CAS
1797432-62-2
Multi CAS
No
Molecular Formula
C21H19FN8O2
Molecular Weight
434.400000
Exact Mass
434.161500
SMILES
CNC1=CC(=NN2C1=NC=C2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)C5=CC=CC=N5
InChI
InChI=1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,28)(H,27,31)/t12-,14+/m0/s1
InChIKey
YITUGUNLCGLOII-GXTWGEPZSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
116.42
TPSA
118.24
LogP / Solubility
WLOGP
1.9
MLOGP
1.7
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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