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CAS 196803-72-2 4-CHLORO-6,8-DIMETHYLQUINOLINE molecular structure lightbox
CAS RN: 196803-72-2

4-CHLORO-6,8-DIMETHYLQUINOLINE

  • Product code: SSC-092878
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 196803-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry

196803-72-2 / 4-chloro-6,8-dimethylquinoline

Standard CAS: 196803-72-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
196803-72-2
Multi CAS
No
Molecular Formula
C11H10ClN
Molecular Weight
191.650000
Exact Mass
191.050177
SMILES
CC1=CC2=C(C=CN=C2C(=C1)C)Cl
InChI
InChI=1S/C11H10ClN/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h3-6H,1-2H3
InChIKey
OREYGYAAYFXMIZ-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
3.5
Consensus LogP
3.36
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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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