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CAS 226396-31-2 (4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID molecular structure lightbox
CAS RN: 226396-31-2

(4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250918 1g In stock Inquiry
Batchno.20250608 250mg In stock Inquiry
Batchno.20251010 5g In stock Inquiry
  • Product code: SSC-110569
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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 226396-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

226396-31-2 / [4-(methylsulfamoyl)phenyl]boronic acid

Standard CAS: 226396-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226396-31-2
Multi CAS
No
Molecular Formula
C7H10BNO4S
Molecular Weight
215.040000
Exact Mass
215.042359
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)NC)(O)O
InChI
InChI=1S/C7H10BNO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
InChIKey
DOQOQZHSIBBHMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
52.51
TPSA
86.63

LogP / Solubility

WLOGP
-1.73
MLOGP
-1.52
XLogP3
-1.73
Consensus LogP
-1.66
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly 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)
-5.26

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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