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CAS 2306277-14-3 2-(6-bromo-8-fluoro-3-quinolyl)ethanol molecular structure lightbox
CAS RN: 2306277-14-3

2-(6-bromo-8-fluoro-3-quinolyl)ethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2306277-14-3
  • Purity/Analytical Methods: >99.0%
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2306277-14-3 / 2-(6-bromo-8-fluoroquinolin-3-yl)ethanol

Standard CAS: 2306277-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2306277-14-3
Multi CAS
No
Molecular Formula
C11H9BrFNO
Molecular Weight
270.100000
Exact Mass
268.985150
SMILES
C1=C2C=C(C=NC2=C(C=C1Br)F)CCO
InChI
InChI=1S/C11H9BrFNO/c12-9-4-8-3-7(1-2-15)6-14-11(8)10(13)5-9/h3-6,15H,1-2H2
InChIKey
DHESJJLUIDPALA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.19
TPSA
33.12

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.47

Drug-likeness / Medicinal Chemistry

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

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