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CAS 944896-70-2 7-ChloroiMidazo[1,2-a]pyriMidine molecular structure lightbox
CAS RN: 944896-70-2

7-ChloroiMidazo[1,2-a]pyriMidine

  • Product code: SSC-209395
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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: 0.25g
  • 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 944896-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

944896-70-2 / 7-chloroimidazo[1,2-a]pyrimidine

Standard CAS: 944896-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944896-70-2
Multi CAS
No
Molecular Formula
C6H4CLN3
Molecular Weight
153.570000
Exact Mass
153.009375
InChI
InChI=1S/C6H4ClN3/c7-5-1-3-10-4-2-8-6(10)9-5/h1-4H
InChIKey
BDZPCFISBIWXMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
38
TPSA
30.19

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
2.1
Consensus LogP
1.56
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.68

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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