CAS RN: 1213269-23-8
WZ4002
Product Availability
Choose a grade to view its available package options.
11 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250625 | 10mg / 50mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260615 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250128 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250601 | 1g | Out of stock | Inquiry | ||
| Batchno.20250114 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251121 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260419 | 5g | Out of stock | Inquiry | ||
| Batchno.20260315 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1213269-23-8
- Purity/Analytical Methods: >99.0%
1213269-23-8 / N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
WZ4002 | WZ-4002 | N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Basic Information
CAS
1213269-23-8
Multi CAS
Yes
Molecular Formula
C25H27ClN6O3
Molecular Weight
495.000000
Exact Mass
494.183316
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl)OC
InChI
InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
InChIKey
ITTRLTNMFYIYPA-UHFFFAOYSA-N
Synonyms
WZ4002
WZ-4002
N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
CHEBI:61400
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
138.37
TPSA
91.85
LogP / Solubility
WLOGP
4.55
MLOGP
4.04
XLogP3
4.2
Consensus LogP
4.26
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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