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CAS 874831-46-6 4-Chloro-5,7-difluoroquinoline molecular structure lightbox
CAS RN: 874831-46-6

4-Chloro-5,7-difluoroquinoline

  • Product code: SSC-197518
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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: ＞97%
  • 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 874831-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

874831-46-6 / 4-chloro-5,7-difluoroquinoline

Standard CAS: 874831-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874831-46-6
Multi CAS
Yes
Molecular Formula
C9H4CLF2N
Molecular Weight
199.580000
Exact Mass
199.000033
InChI
InChI=1S/C9H4ClF2N/c10-6-1-2-13-8-4-5(11)3-7(12)9(6)8/h1-4H
InChIKey
ZJTFMBZVSQOTPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
46.67
TPSA
12.89

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
3
Consensus LogP
2.99
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-1.69

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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