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CAS 1189105-68-7 4-Bromo-6-trifluoromethoxyquinoline molecular structure lightbox
CAS RN: 1189105-68-7

4-Bromo-6-trifluoromethoxyquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-019129
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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: ＞97%
  • 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 1189105-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1189105-68-7 / 4-bromo-6-(trifluoromethoxy)quinoline

4-Bromo-6-(trifluoromethoxy)quinoline | 4-Bromo-6-trifluoromethoxyquinoline | MFCD12674963

Standard CAS: 1189105-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189105-68-7
Multi CAS
No
Molecular Formula
C10H5BrF3NO
Molecular Weight
292.050000
Exact Mass
290.950660
SMILES
C1=CC2=NC=CC(=C2C=C1OC(F)(F)F)Br
InChI
InChI=1S/C10H5BrF3NO/c11-8-3-4-15-9-2-1-6(5-7(8)9)16-10(12,13)14/h1-5H
InChIKey
MQWWGBHKEREGLA-UHFFFAOYSA-N
Synonyms
4-Bromo-6-(trifluoromethoxy)quinoline 4-Bromo-6-trifluoromethoxyquinoline MFCD12674963 DTXSID40670908 AKOS022173574

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.13
TPSA
22.12

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
4.1
Consensus LogP
3.81
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

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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