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CAS 91524-70-8 (2-Bromo-4-fluorophenyl)(methyl)sulfane molecular structure lightbox
CAS RN: 91524-70-8

(2-Bromo-4-fluorophenyl)(methyl)sulfane

  • Product code: SSC-204753
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 91524-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

91524-70-8 / 2-bromo-4-fluoro-1-methylsulfanylbenzene

Standard CAS: 91524-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91524-70-8
Multi CAS
No
Molecular Formula
BC7H6RfS
Molecular Weight
221.090000
Exact Mass
219.935760
InChI
InChI=1S/C7H6BrFS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKey
XQGBAFLNAQHQNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.88
TPSA
25.3000

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.72

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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