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CAS 942655-44-9 JK-P3 molecular structure lightbox
CAS RN: 942655-44-9

JK-P3

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 1mg / 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTJ0012
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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942655-44-9 / 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide

Standard CAS: 942655-44-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
942655-44-9
Multi CAS
Yes
Molecular Formula
C18H17N3O3
Molecular Weight
323.300000
Exact Mass
323.126991
InChI
InChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKey
QAZJUVDICQNITG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.52
TPSA
76.24

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3
Consensus LogP
3.1
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-2.32

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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