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CAS 393845-24-4 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine molecular structure lightbox
CAS RN: 393845-24-4

1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 100mg In stock Shanghai Inquiry
Batchno.20251018 250mg Out of stock Inquiry
Batchno.20251013 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS393845-24-4
  • Purity/Analytical Methods: >99.0%
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393845-24-4 / 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

Standard CAS: 393845-24-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
393845-24-4
Multi CAS
Yes
Molecular Formula
C19H23N5
Molecular Weight
321.400000
Exact Mass
321.195346
InChI
InChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
InChIKey
CLQVVBPDAXJGBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
96.75
TPSA
46.84

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
4.3
Consensus LogP
3.74
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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