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CAS 21617-18-5 4,5-DICHLORO-QUINOLINE molecular structure lightbox
CAS RN: 21617-18-5

4,5-DICHLORO-QUINOLINE

  • Product code: SSC-103597
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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 21617-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

21617-18-5 / 4,5-dichloroquinoline

Standard CAS: 21617-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21617-18-5
Multi CAS
No
Molecular Formula
C9H5Cl2N
Molecular Weight
198.050000
Exact Mass
196.979905
SMILES
C1=CC2=NC=CC(=C2C(=C1)Cl)Cl
InChI
InChI=1S/C9H5Cl2N/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-5H
InChIKey
SNZMBGPVGUVXRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
51.76
TPSA
12.89

LogP / Solubility

WLOGP
3.54
MLOGP
3.12
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.41

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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