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CAS 1261868-42-1 3-HYDROXY-6-(TRIFLUOROMETHOXY)QUINOLINE molecular structure lightbox
CAS RN: 1261868-42-1

3-HYDROXY-6-(TRIFLUOROMETHOXY)QUINOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-033019
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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: ≥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 1261868-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1261868-42-1 / 6-(trifluoromethoxy)quinolin-3-ol

Standard CAS: 1261868-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261868-42-1
Multi CAS
No
Molecular Formula
C10H6F3NO2
Molecular Weight
229.150000
Exact Mass
229.035063
SMILES
C1=CC2=NC=C(C=C2C=C1OC(F)(F)F)O
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)16-8-1-2-9-6(4-8)3-7(15)5-14-9/h1-5,15H
InChIKey
SDUDCWSGFIBQEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.09
TPSA
42.35

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
3.3
Consensus LogP
2.88
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.1

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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