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CAS 943314-46-3 4-chloro-6-(1H-pyrazol-4-yl)pyrimidine molecular structure lightbox
CAS RN: 943314-46-3

4-chloro-6-(1H-pyrazol-4-yl)pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS943314-46-3
  • Purity/Analytical Methods: >99.0%
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943314-46-3 / 4-chloro-6-(1H-pyrazol-4-yl)pyrimidine

Standard CAS: 943314-46-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943314-46-3
Multi CAS
No
Molecular Formula
C7H5CLN4
Molecular Weight
180.590000
Exact Mass
180.020274
InChI
InChI=1S/C7H5ClN4/c8-7-1-6(9-4-10-7)5-2-11-12-3-5/h1-4H,(H,11,12)
InChIKey
JXBNSWKQEQUGCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.62
TPSA
54.46

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.1
Consensus LogP
1.32
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.74

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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