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CAS 1951431-22-3 BKI-1369 molecular structure lightbox
CAS RN: 1951431-22-3

BKI-1369

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1951431-22-3
  • Purity/Analytical Methods: >99.0%
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1951431-22-3 / 3-(2-ethoxyquinolin-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Standard CAS: 1951431-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951431-22-3
Multi CAS
No
Molecular Formula
C23H27N7O
Molecular Weight
417.500000
Exact Mass
417.227709
SMILES
CCOC1=NC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCN(CC5)C
InChI
InChI=1S/C23H27N7O/c1-3-31-19-7-5-16-12-17(4-6-18(16)27-19)21-20-22(24)25-14-26-23(20)30(28-21)13-15-8-10-29(2)11-9-15/h4-7,12,14-15H,3,8-11,13H2,1-2H3,(H2,24,25,26)
InChIKey
AWJAAKKEYXUCFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
19
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
121.86
TPSA
94.98

LogP / Solubility

WLOGP
3.36
MLOGP
2.99
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.88

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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