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CAS 36912-83-1 1-PHENYL-2-(4-PYRIMIDINYL)-ETHANONE molecular structure lightbox
CAS RN: 36912-83-1

1-PHENYL-2-(4-PYRIMIDINYL)-ETHANONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36912-83-1
  • Purity/Analytical Methods: >99.0%
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36912-83-1 / 1-phenyl-2-pyrimidin-4-ylethanone

Standard CAS: 36912-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36912-83-1
Multi CAS
No
Molecular Formula
C12H10N2O
Molecular Weight
198.220000
Exact Mass
198.079313
InChI
InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)8-11-6-7-13-9-14-11/h1-7,9H,8H2
InChIKey
BJDUPABHTHYHEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.51
TPSA
42.85

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.5
Consensus LogP
1.69
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

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