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CAS 859940-73-1 1-BROMO-3-(METHYLSULFONYL)PROPANE molecular structure lightbox
CAS RN: 859940-73-1

1-BROMO-3-(METHYLSULFONYL)PROPANE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 0.5g / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-194722
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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 859940-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

859940-73-1 / 1-bromo-3-methylsulfonylpropane

Standard CAS: 859940-73-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
859940-73-1
Multi CAS
Yes
Molecular Formula
C4H9BRO2S
Molecular Weight
201.080000
Exact Mass
199.950660
InChI
InChI=1S/C4H9BrO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChIKey
BNECODFCHDCLDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
38.12
TPSA
34.14

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately 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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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