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CAS 1375107-95-1 7-bromo-8-fluoroquinoline molecular structure lightbox
CAS RN: 1375107-95-1

7-bromo-8-fluoroquinoline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1375107-95-1
  • Purity/Analytical Methods: >99.0%
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1375107-95-1 / 7-bromo-8-fluoroquinoline

Standard CAS: 1375107-95-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1375107-95-1
Multi CAS
No
Molecular Formula
C9H5BrFN
Molecular Weight
226.040000
Exact Mass
224.958940
SMILES
C1=CC2=C(C(=C(C=C2)Br)F)N=C1
InChI
InChI=1S/C9H5BrFN/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H
InChIKey
QXKAZGUVDWLARG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
49.4
TPSA
12.89

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.87

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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