CAS RN: 1353552-97-2
Poseltinib
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.20250518 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250514 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260301 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260429 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250528 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250701 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1353552-97-2
- Purity/Analytical Methods: >99.0%
1353552-97-2 / N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Basic Information
CAS
1353552-97-2
Multi CAS
No
Molecular Formula
C26H26N6O3
Molecular Weight
470.500000
Exact Mass
470.206639
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)OC=C4
InChI
InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)
InChIKey
LZMJNVRJMFMYQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
136.58
TPSA
95.76
LogP / Solubility
WLOGP
4.64
MLOGP
4.11
XLogP3
4.1
Consensus LogP
4.28
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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