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CAS 148355-75-3 3-(METHYLSULFONYLAMINO)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 148355-75-3

3-(METHYLSULFONYLAMINO)PHENYLBORONIC ACID

  • Product code: SSC-058695
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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: 1
  • 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 148355-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

148355-75-3 / [3-(methanesulfonamido)phenyl]boronic acid

Standard CAS: 148355-75-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148355-75-3
Multi CAS
No
Molecular Formula
C7H10BNO4S
Molecular Weight
215.040000
Exact Mass
215.042359
SMILES
B(C1=CC(=CC=C1)NS(=O)(=O)C)(O)O
InChI
InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11/h2-5,9-11H,1H3
InChIKey
XUIQQIRLFMCWLN-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
54.73
TPSA
86.63

LogP / Solubility

WLOGP
-1.26
MLOGP
-1.11
XLogP3
-1.26
Consensus LogP
-1.21
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-4.93

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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