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CAS 700-78-7 6-chloroquinazoline molecular structure lightbox
CAS RN: 700-78-7

6-chloroquinazoline

  • Product code: SSC-179787
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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 700-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

700-78-7 / 6-chloroquinazoline

Standard CAS: 700-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
700-78-7
Multi CAS
No
Molecular Formula
C8H5CLN2
Molecular Weight
164.590000
Exact Mass
164.014126
InChI
InChI=1S/C8H5ClN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
InChIKey
APZOSGVUMBJPDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
44.55
TPSA
25.78

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
1.6
Consensus LogP
1.96
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

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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