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CAS 886498-34-6 4-BROMO-2-FLUOROBENZYLMETHYLSULFONE molecular structure lightbox
CAS RN: 886498-34-6

4-BROMO-2-FLUOROBENZYLMETHYLSULFONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS886498-34-6
  • Purity/Analytical Methods: >99.0%
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886498-34-6 / 4-bromo-2-fluoro-1-(methylsulfonylmethyl)benzene

Standard CAS: 886498-34-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886498-34-6
Multi CAS
Yes
Molecular Formula
BC8H8O2RfS
Molecular Weight
267.120000
Exact Mass
265.941240
InChI
InChI=1S/C8H8BrFO2S/c1-13(11,12)5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3
InChIKey
ZROGRIXTCMQBIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.65
TPSA
34.14

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

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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