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CAS 1375066-09-3 2(1H)-Quinolinone, 6-broMo-8-Methyl-4-(trifluoroMethyl)- molecular structure lightbox
CAS RN: 1375066-09-3

2(1H)-Quinolinone, 6-broMo-8-Methyl-4-(trifluoroMethyl)-

  • Product code: SSC-047176
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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, 1g, 5g
  • 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 1375066-09-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

1375066-09-3 / 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one

Standard CAS: 1375066-09-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375066-09-3
Multi CAS
No
Molecular Formula
C11H7BrF3NO
Molecular Weight
306.080000
Exact Mass
304.966310
SMILES
CC1=CC(=CC2=C1NC(=O)C=C2C(F)(F)F)Br
InChI
InChI=1S/C11H7BrF3NO/c1-5-2-6(12)3-7-8(11(13,14)15)4-9(17)16-10(5)7/h2-4H,1H3,(H,16,17)
InChIKey
QWMITHZXPDYPGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.01
TPSA
32.86

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
2.8
Consensus LogP
3.21
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

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

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