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CAS 373356-50-4 6-(Piperazin-1-yl)-4-chloropyrimidine molecular structure lightbox
CAS RN: 373356-50-4

6-(Piperazin-1-yl)-4-chloropyrimidine

  • Product code: SSC-144649
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 373356-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

373356-50-4 / 4-chloro-6-piperazin-1-ylpyrimidine

Standard CAS: 373356-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
373356-50-4
Multi CAS
No
Molecular Formula
C8H11CLN4
Molecular Weight
198.650000
Exact Mass
198.067224
InChI
InChI=1S/C8H11ClN4/c9-7-5-8(12-6-11-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKey
YUDWNXPKSXBXBB-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
1
Consensus LogP
0.67
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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