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CAS 59215-40-6 PYRIMIDINE, 5-CHLORO-2-(1-PIPERAZINYL)- molecular structure lightbox
CAS RN: 59215-40-6

PYRIMIDINE, 5-CHLORO-2-(1-PIPERAZINYL)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59215-40-6
  • Purity/Analytical Methods: >99.0%
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59215-40-6 / 5-chloro-2-piperazin-1-ylpyrimidine

Standard CAS: 59215-40-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59215-40-6
Multi CAS
Yes
Molecular Formula
C8H11CLN4
Molecular Weight
198.650000
Exact Mass
198.067224
InChI
InChI=1S/C8H11ClN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKey
CNHDTJAPQFANKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.12
TPSA
41.05

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.55

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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