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CAS 4891-69-4 6-PHENYL-4-PYRIMIDINOL molecular structure lightbox
CAS RN: 4891-69-4

6-PHENYL-4-PYRIMIDINOL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS4891-69-4
  • Purity/Analytical Methods: >99.0%
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4891-69-4 / 4-phenyl-1H-pyrimidin-6-one

Standard CAS: 4891-69-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4891-69-4
Multi CAS
Yes
Molecular Formula
C10H8N2O
Molecular Weight
172.180000
Exact Mass
172.063663
InChI
InChI=1S/C10H8N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKey
OATNBMJACLEOTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.29
TPSA
45.75

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
0.9
Consensus LogP
1.2
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

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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