CAS RN: 1402727-29-0
PE859
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260501 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260126 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260228 | 250mg | Out of stock | Inquiry | |
| Batchno.20260423 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250721 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250111 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1402727-29-0
- Purity/Analytical Methods: >99.0%
1402727-29-0 / 6-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
Basic Information
CAS
1402727-29-0
Multi CAS
No
Molecular Formula
C28H24N4O2
Molecular Weight
448.500000
Exact Mass
448.189926
SMILES
COC1=C(C=CC(=C1)OCC2=CC=CC=N2)/C=C/C3=CC(=NN3)/C=C/C4=CC5=C(C=C4)C=CN5
InChI
InChI=1S/C28H24N4O2/c1-33-28-18-26(34-19-25-4-2-3-14-29-25)12-9-22(28)8-11-24-17-23(31-32-24)10-6-20-5-7-21-13-15-30-27(21)16-20/h2-18,30H,19H2,1H3,(H,31,32)/b10-6+,11-8+
InChIKey
AMBZHNVCLPHAKA-NSJFVGFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
26
Fraction Csp3
0.07
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
136.31
TPSA
75.82
LogP / Solubility
WLOGP
6.21
MLOGP
5.5
XLogP3
5.4
Consensus LogP
5.7
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-7.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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