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CAS 1189105-57-4 4-BROMO-7-TRIFLUOROMETHOXYQUINOLINE molecular structure lightbox
CAS RN: 1189105-57-4

4-BROMO-7-TRIFLUOROMETHOXYQUINOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189105-57-4
  • Purity/Analytical Methods: >99.0%
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1189105-57-4 / 4-bromo-7-(trifluoromethoxy)quinoline

4-Bromo-7-(trifluoromethoxy)quinoline | 4-Bromo-7-trifluoromethoxyquinoline | MFCD08063193

Standard CAS: 1189105-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189105-57-4
Multi CAS
No
Molecular Formula
C10H5BrF3NO
Molecular Weight
292.050000
Exact Mass
290.950660
SMILES
C1=CC2=C(C=CN=C2C=C1OC(F)(F)F)Br
InChI
InChI=1S/C10H5BrF3NO/c11-8-3-4-15-9-5-6(1-2-7(8)9)16-10(12,13)14/h1-5H
InChIKey
MZBIEUGZSAYZOM-UHFFFAOYSA-N
Synonyms
4-Bromo-7-(trifluoromethoxy)quinoline 4-Bromo-7-trifluoromethoxyquinoline MFCD08063193 DTXSID10670910 AKOS022173608

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
4.2
Consensus LogP
3.85
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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