CAS RN: 1351927-00-8
T338C Src-IN-2
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.20260128 | 2mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1351927-00-8
- Purity/Analytical Methods: >99.0%
1351927-00-8 / 1-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-2-fluoroethanone
Basic Information
CAS
1351927-00-8
Multi CAS
No
Molecular Formula
C17H18FN5O
Molecular Weight
327.360000
Exact Mass
327.149538
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)CC3=CC(=CC=C3)C(=O)CF)N
InChI
InChI=1S/C17H18FN5O/c1-10(2)23-17-15(16(19)20-9-21-17)13(22-23)7-11-4-3-5-12(6-11)14(24)8-18/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,21)
InChIKey
WEPKWIAJJGCTLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
89.67
TPSA
86.69
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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