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CAS 35877-04-4 2,6-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE molecular structure lightbox
CAS RN: 35877-04-4

2,6-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE

  • Product code: SSC-142946
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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: 5g
  • Available purity: ≥95%
  • 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 35877-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

35877-04-4 / 2,6-bis(trifluoromethyl)-1H-quinolin-4-one

Standard CAS: 35877-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35877-04-4
Multi CAS
No
Molecular Formula
C11F6H5NO
Molecular Weight
281.150000
Exact Mass
281.027533
InChI
InChI=1S/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19)
InChIKey
AOGNHURBEDTPIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.57
TPSA
32.86

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
3.3
Consensus LogP
3.34
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9

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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