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CAS 54-36-4 METYRAPONE molecular structure lightbox
CAS RN: 54-36-4

METYRAPONE

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250725 1g In stock Shanghai Inquiry
Batchno.20260324 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250115 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250513 25mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260607 50mg In stock Shanghai Inquiry
Batchno.20251004 5mg In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS54-36-4
  • Purity/Analytical Methods: >99.0%
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54-36-4 / 2-methyl-1,2-dipyridin-3-ylpropan-1-one

Standard CAS: 54-36-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
54-36-4
Multi CAS
No
Molecular Formula
C14H14N2O
Molecular Weight
226.270000
Exact Mass
226.110613
InChI
InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKey
FJLBFSROUSIWMA-UHFFFAOYSA-N

Physical Properties

Melting Point
50-51 °C 50.5 °C
Physical Description
Solid
Appearance
CRYSTALS FROM ETHER & PENTANE WHITE TO LIGHT AMBER, FINE CRYSTALLINE POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
65.83
TPSA
42.85

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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