CAS RN: 833481-73-5
2OH-BNPP1
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250302 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS833481-73-5
- Purity/Analytical Methods: >99.0%
833481-73-5 / 2-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol
Basic Information
CAS
833481-73-5
Multi CAS
No
Molecular Formula
C16H19N5O
Molecular Weight
297.350000
Exact Mass
297.158960
SMILES
CC(C)(C)N1C2=NC=NC(=C2C(=N1)CC3=CC=CC=C3O)N
InChI
InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)11(20-21)8-10-6-4-5-7-12(10)22/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19)
InChIKey
LWLCFWPPMNPMOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
85.64
TPSA
89.85
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly 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)
-2.79
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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