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CAS 956025-83-5 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine molecular structure lightbox
CAS RN: 956025-83-5

4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 25mg Out of stock Inquiry
Batchno.20251118 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251227 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS956025-83-5
  • Purity/Analytical Methods: >99.0%
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956025-83-5 / 1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Standard CAS: 956025-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956025-83-5
Multi CAS
No
Molecular Formula
C17H21N5
Molecular Weight
295.400000
Exact Mass
295.179696
InChI
InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
InChIKey
FYCOTGCSHZKHPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.72
TPSA
69.62

LogP / Solubility

WLOGP
3.06
MLOGP
2.71
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

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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