CAS RN: 2310262-11-2
PDK4-IN-1 hydrochloride
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 1mg / 5mg / 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260209 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251109 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260318 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260131 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260110 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2310262-11-2
- Purity/Analytical Methods: >99.0%
2310262-11-2 / 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione;hydrochloride
Basic Information
CAS
2310262-11-2
Multi CAS
No
Molecular Formula
C22H20ClN3O2
Molecular Weight
393.900000
Exact Mass
393.124405
SMILES
C1CNCCC1N2C=C(C=N2)C3=C4C(=CC=C3)C(=O)C5=CC=CC=C5C4=O.Cl
InChI
InChI=1S/C22H19N3O2.ClH/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15;/h1-7,12-13,15,23H,8-11H2;1H
InChIKey
ZIMLKZKPNALXKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.36
TPSA
63.99
LogP / Solubility
WLOGP
3.67
MLOGP
3.25
XLogP3
3.67
Consensus LogP
3.53
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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