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CAS 89520-70-7 SodiuM 3-broMobenzenesulfinate molecular structure lightbox
CAS RN: 89520-70-7

SodiuM 3-broMobenzenesulfinate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 100mg In stock Shanghai Inquiry
Batchno.20260307 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250811 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250712 5g Out of stock Inquiry
  • Product code: SSC-201517
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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 89520-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

89520-70-7 / sodium 3-bromobenzenesulfinate

Standard CAS: 89520-70-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89520-70-7
Multi CAS
Yes
Molecular Formula
C6H4BRNAO2S
Molecular Weight
243.060000
Exact Mass
241.901310
InChI
InChI=1S/C6H5BrO2S.Na/c7-5-2-1-3-6(4-5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey
LMRDXRGLFWAOLS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.33
TPSA
40.13

LogP / Solubility

WLOGP
-1.31
MLOGP
-1.15
XLogP3
-1.31
Consensus LogP
-1.26
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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