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CAS 1020253-25-1 8-Bromo-6-trifluoromethoxyquinoline molecular structure lightbox
CAS RN: 1020253-25-1

8-Bromo-6-trifluoromethoxyquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1020253-25-1
  • Purity/Analytical Methods: >99.0%
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1020253-25-1 / 8-bromo-6-(trifluoromethoxy)quinoline

8-Bromo-6-(trifluoromethoxy)quinoline | DTXSID30650577 | RefChem:311847

Standard CAS: 1020253-25-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1020253-25-1
Multi CAS
No
Molecular Formula
C10H5BrF3NO
Molecular Weight
292.050000
Exact Mass
290.950660
SMILES
C1=CC2=CC(=CC(=C2N=C1)Br)OC(F)(F)F
InChI
InChI=1S/C10H5BrF3NO/c11-8-5-7(16-10(12,13)14)4-6-2-1-3-15-9(6)8/h1-5H
InChIKey
VDJIPDVPISXOMB-UHFFFAOYSA-N
Synonyms
8-Bromo-6-(trifluoromethoxy)quinoline DTXSID30650577 RefChem:311847 DTXCID30601327 8-BROMO-6-TRIFLUOROMETHOXYQUINOLINE

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
3.9
Consensus LogP
3.75
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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