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CAS 659729-09-6 4-chloro-6-(4′-(trifluoromethyl)phenyl)pyrimidine molecular structure lightbox
CAS RN: 659729-09-6

4-chloro-6-(4′-(trifluoromethyl)phenyl)pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS659729-09-6
  • Purity/Analytical Methods: >99.0%
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659729-09-6 / 4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidine

Standard CAS: 659729-09-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
659729-09-6
Multi CAS
No
Molecular Formula
C11H6CLF3N2
Molecular Weight
258.620000
Exact Mass
258.017160
InChI
InChI=1S/C11H6ClF3N2/c12-10-5-9(16-6-17-10)7-1-3-8(4-2-7)11(13,14)15/h1-6H
InChIKey
RYYMGPDAXCLXSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.48
TPSA
25.78

LogP / Solubility

WLOGP
3.82
MLOGP
3.36
XLogP3
3.7
Consensus LogP
3.63
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

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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