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CAS 31602-11-6 4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ETHYL ESTER molecular structure lightbox
CAS RN: 31602-11-6

4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ETHYL ESTER

  • Product code: SSC-137026
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 31602-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

31602-11-6 / ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate

Standard CAS: 31602-11-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31602-11-6
Multi CAS
Yes
Molecular Formula
C13H9CLF3NO2
Molecular Weight
303.660000
Exact Mass
303.027391
InChI
InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)8-6-18-11-7(10(8)14)4-3-5-9(11)13(15,16)17/h3-6H,2H2,1H3
InChIKey
CIGIGQHDHKBPAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.71
TPSA
39.19

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
3.9
Consensus LogP
3.86
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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