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CAS 313225-39-7 N-Cyclohexyl-1-phenyl-1H-pyrazolo[3,4-d]pyriMidin-4-aMine molecular structure lightbox
CAS RN: 313225-39-7

N-Cyclohexyl-1-phenyl-1H-pyrazolo[3,4-d]pyriMidin-4-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS313225-39-7
  • Purity/Analytical Methods: >99.0%
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313225-39-7 / N-cyclohexyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

Standard CAS: 313225-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313225-39-7
Multi CAS
No
Molecular Formula
C17H19N5
Molecular Weight
293.400000
Exact Mass
293.164046
InChI
InChI=1S/C17H19N5/c1-3-7-13(8-4-1)21-16-15-11-20-22(17(15)19-12-18-16)14-9-5-2-6-10-14/h2,5-6,9-13H,1,3-4,7-8H2,(H,18,19,21)
InChIKey
CSCOVVWVKITOIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.16
TPSA
55.63

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
4
Consensus LogP
3.57
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-1.98

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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