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CAS 52026-43-4 4-(2-CHLORO-6-METHYLPYRIMIDIN-4-YL)MORPHOLINE molecular structure lightbox
CAS RN: 52026-43-4

4-(2-CHLORO-6-METHYLPYRIMIDIN-4-YL)MORPHOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52026-43-4
  • Purity/Analytical Methods: >99.0%
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52026-43-4 / 4-(2-chloro-6-methylpyrimidin-4-yl)morpholine

Standard CAS: 52026-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52026-43-4
Multi CAS
No
Molecular Formula
C9H12CLN3O
Molecular Weight
213.660000
Exact Mass
213.066890
InChI
InChI=1S/C9H12ClN3O/c1-7-6-8(12-9(10)11-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKey
JKILHXUIAXOMDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
54.81
TPSA
38.25

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.12

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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