CAS RN: 622855-37-2
Wee1 Inhibitor
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.20251208 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS622855-37-2
- Purity/Analytical Methods: >99.0%
622855-37-2 / 4-(2-chlorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Basic Information
CAS
622855-37-2
Multi CAS
Yes
Molecular Formula
C20H11CLN2O3
Molecular Weight
362.800000
Exact Mass
362.045820
InChI
InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
InChIKey
DPEXRCOBPACFOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
99.71
TPSA
82.19
LogP / Solubility
WLOGP
4.23
MLOGP
3.74
XLogP3
4.1
Consensus LogP
4.02
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
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)
-1.93
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
3.5
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