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CAS 55102-99-3 1-Bromo-4-(4-fluorophenoxy)benzene molecular structure lightbox
CAS RN: 55102-99-3

1-Bromo-4-(4-fluorophenoxy)benzene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55102-99-3
  • Purity/Analytical Methods: >99.0%
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55102-99-3 / 1-bromo-4-(4-fluorophenoxy)benzene

Standard CAS: 55102-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55102-99-3
Multi CAS
No
Molecular Formula
BC12H8ORf
Molecular Weight
267.090000
Exact Mass
265.974260
InChI
InChI=1S/C12H8BrFO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
QAOAGSVWMAMCGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.62
TPSA
9.23

LogP / Solubility

WLOGP
4.38
MLOGP
3.86
XLogP3
3.5
Consensus LogP
3.91
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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)
-1.24

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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