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CAS 85979-60-8 4-Chloro-6-(3-fluoro-phenyl)-pyrimidine molecular structure lightbox
CAS RN: 85979-60-8

4-Chloro-6-(3-fluoro-phenyl)-pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS85979-60-8
  • Purity/Analytical Methods: >99.0%
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85979-60-8 / 4-chloro-6-(3-fluorophenyl)pyrimidine

Standard CAS: 85979-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85979-60-8
Multi CAS
No
Molecular Formula
C10H6CLFN2
Molecular Weight
208.620000
Exact Mass
208.020354
InChI
InChI=1S/C10H6ClFN2/c11-10-5-9(13-6-14-10)7-2-1-3-8(12)4-7/h1-6H
InChIKey
HFGCFWZSUWARQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.44
TPSA
25.78

LogP / Solubility

WLOGP
2.94
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-1.91

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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