CAS RN: 1202757-89-8
AVL-292
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250626 | 100mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20260109 | 1g | Out of stock | Inquiry | |
| Batchno.20260210 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260210 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250824 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251025 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250608 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1202757-89-8
- Purity/Analytical Methods: >99.0%
1202757-89-8 / N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
spebrutinib | AVL-292 | cc-292
Basic Information
CAS
1202757-89-8
Multi CAS
Yes
Molecular Formula
C22H22FN5O3
Molecular Weight
423.400000
Exact Mass
423.170668
SMILES
COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F
InChI
InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
InChIKey
KXBDTLQSDKGAEB-UHFFFAOYSA-N
Synonyms
spebrutinib
AVL-292
cc-292
Btk inhibitor CC-292
N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
3
Molar refractivity
117.64
TPSA
97.4
LogP / Solubility
WLOGP
4.25
MLOGP
3.77
XLogP3
3.6
Consensus LogP
3.87
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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