CAS RN: 330786-25-9
PCI 29732
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 100mg | Out of stock | Inquiry | |
| Batchno.20260305 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250401 | 250mg | Out of stock | Inquiry | |
| Batchno.20251226 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20260325 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251210 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTP2687
- Purity/Analytical Methods: >98.0%(HPLC)
330786-25-9 / 1-cyclopentyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Basic Information
CAS
330786-25-9
Multi CAS
No
Molecular Formula
C22H21N5O
Molecular Weight
371.400000
Exact Mass
371.174610
InChI
InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25)
InChIKey
GMJUPMONHWAZCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
109.19
TPSA
78.85
LogP / Solubility
WLOGP
4.98
MLOGP
4.41
XLogP3
4.2
Consensus LogP
4.53
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
