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CAS 1065087-84-4 3-Bromo-4-hydroxy-6-trifluoromethylquinoline molecular structure lightbox
CAS RN: 1065087-84-4

3-Bromo-4-hydroxy-6-trifluoromethylquinoline

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251108 1g In stock Inquiry
Batchno.20251005 250mg In stock Inquiry
Batchno.20251102 50mg In stock Inquiry
  • Product code: SSC-008141
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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 1065087-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1065087-84-4 / 3-bromo-6-(trifluoromethyl)-1H-quinolin-4-one

DTXSID70671089 | 3-Bromo-6-(trifluoromethyl)quinolin-4(1H)-one | RefChem:277636

Standard CAS: 1065087-84-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1065087-84-4
Multi CAS
Yes
Molecular Formula
C10H5BrF3NO
Molecular Weight
292.050000
Exact Mass
290.950660
SMILES
C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)Br
InChI
InChI=1S/C10H5BrF3NO/c11-7-4-15-8-2-1-5(10(12,13)14)3-6(8)9(7)16/h1-4H,(H,15,16)
InChIKey
PBWDPZFUWZPUKK-UHFFFAOYSA-N
Synonyms
DTXSID70671089 3-Bromo-6-(trifluoromethyl)quinolin-4(1H)-one RefChem:277636 DTXCID80621838 3-Bromo-4-hydroxy-6-trifluoromethylquinoline

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.27
TPSA
32.86

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-2.15

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

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