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CAS 221290-14-8 3-(TERT-BUTYLAMINOSULPHONYL)BENZENEBORONIC ACID molecular structure lightbox
CAS RN: 221290-14-8

3-(TERT-BUTYLAMINOSULPHONYL)BENZENEBORONIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-106476
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 221290-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

221290-14-8 / [3-(tert-butylsulfamoyl)phenyl]boronic acid

Standard CAS: 221290-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221290-14-8
Multi CAS
No
Molecular Formula
C10H16BNO4S
Molecular Weight
257.120000
Exact Mass
257.089309
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)NC(C)(C)C)(O)O
InChI
InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-5-8(7-9)11(13)14/h4-7,12-14H,1-3H3
InChIKey
LSSASZPAKWQFHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.34
TPSA
86.63

LogP / Solubility

WLOGP
-0.56
MLOGP
-0.48
XLogP3
-0.56
Consensus LogP
-0.53
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-4.68

Drug-likeness / Medicinal Chemistry

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

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