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CAS 32314-39-9 4-CHLORO-2,8-DIMETHYLQUINOLINE molecular structure lightbox
CAS RN: 32314-39-9

4-CHLORO-2,8-DIMETHYLQUINOLINE

  • Product code: SSC-137857
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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 32314-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

32314-39-9 / 4-chloro-2,6-dimethylquinoline

Standard CAS: 32314-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32314-39-9
Multi CAS
Yes
Molecular Formula
C11H10CLN
Molecular Weight
191.650000
Exact Mass
191.050177
InChI
InChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3
InChIKey
ILOAZUIOTZZIBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
56.23
TPSA
12.89

LogP / Solubility

WLOGP
3.51
MLOGP
3.08
XLogP3
3.6
Consensus LogP
3.4
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.4

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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