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CAS 57940-05-3 4,6,7-TRICHLOROQUINAZOLINE molecular structure lightbox
CAS RN: 57940-05-3

4,6,7-TRICHLOROQUINAZOLINE

  • Product code: SSC-166134
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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 57940-05-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

57940-05-3 / 4,6,7-trichloroquinazoline

Standard CAS: 57940-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57940-05-3
Multi CAS
No
Molecular Formula
C8H3CL3N2
Molecular Weight
233.500000
Exact Mass
231.936181
InChI
InChI=1S/C8H3Cl3N2/c9-5-1-4-7(2-6(5)10)12-3-13-8(4)11/h1-3H
InChIKey
JHLMAVSDZYYXFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
54.57
TPSA
25.78

LogP / Solubility

WLOGP
3.59
MLOGP
3.16
XLogP3
3.8
Consensus LogP
3.52
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

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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