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CAS 956025-47-1 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine hydrochloride molecular structure lightbox
CAS RN: 956025-47-1

1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS956025-47-1
  • Purity/Analytical Methods: >99.0%
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956025-47-1 / 1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

Standard CAS: 956025-47-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956025-47-1
Multi CAS
Yes
Molecular Formula
C19H20CLN5
Molecular Weight
353.800000
Exact Mass
353.140723
InChI
InChI=1S/C19H19N5.ClH/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14;/h4-11H,1-3H3,(H2,20,21,22);1H
InChIKey
UKLRSYUALPIALU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
19
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.92
TPSA
69.62

LogP / Solubility

WLOGP
4.41
MLOGP
3.9
XLogP3
4.41
Consensus LogP
4.24
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

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)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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