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CAS 7321-58-6 2-Bromophenyl Methyl Sulfoxide molecular structure lightbox
CAS RN: 7321-58-6

2-Bromophenyl Methyl Sulfoxide

  • Product code: SSC-182674
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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: ≥95%
  • 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 7321-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

7321-58-6 / 1-bromo-2-methylsulfinylbenzene

Standard CAS: 7321-58-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7321-58-6
Multi CAS
Yes
Molecular Formula
C7H7BROS
Molecular Weight
219.100000
Exact Mass
217.940100
InChI
InChI=1S/C7H7BrOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
NNNHMHLNXXGWBA-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
46.47
TPSA
17.07

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
1.7
Consensus LogP
1.94
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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