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CAS 74169-53-2 3,4-Dimethyl-1-(p-tolyl)pyrano[2,3-c]pyrazol-6(1H)-one molecular structure lightbox
CAS RN: 74169-53-2

3,4-Dimethyl-1-(p-tolyl)pyrano[2,3-c]pyrazol-6(1H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LIND889077
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74169-53-2 / 3,4-dimethyl-1-(4-methylphenyl)pyrano[3,2-d]pyrazol-6-one

Standard CAS: 74169-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74169-53-2
Multi CAS
No
Molecular Formula
C15H14N2O2
Molecular Weight
254.280000
Exact Mass
254.105528
InChI
InChI=1S/C15H14N2O2/c1-9-4-6-12(7-5-9)17-15-14(11(3)16-17)10(2)8-13(18)19-15/h4-8H,1-3H3
InChIKey
SLQANWADISNRLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
73.82
TPSA
48.03

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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