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CAS 850567-98-5 4-(ISOPROPYLSULFONYLPHENYL)BORONIC ACID molecular structure lightbox
CAS RN: 850567-98-5

4-(ISOPROPYLSULFONYLPHENYL)BORONIC ACID

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 10g In stock Inquiry
Batchno.20251104 1g In stock Inquiry
Batchno.20260514 250mg In stock Inquiry
Batchno.20260409 25g In stock Inquiry
Batchno.20250902 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251019 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-193000
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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: 10g
  • 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 850567-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

850567-98-5 / (4-propan-2-ylsulfonylphenyl)boronic acid

Standard CAS: 850567-98-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850567-98-5
Multi CAS
Yes
Molecular Formula
BC9H13O4S
Molecular Weight
228.080000
Exact Mass
228.062760
InChI
InChI=1S/C9H13BO4S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
InChIKey
IGJLXIUSOMMUIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.59
TPSA
74.6

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.39
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.43

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
1.5

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