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CAS 874459-65-1 (3-(N-isopropylsulfaMoyl)-4-Methoxyphenyl)boronic acid molecular structure lightbox
CAS RN: 874459-65-1

(3-(N-isopropylsulfaMoyl)-4-Methoxyphenyl)boronic acid

  • Product code: SSC-197421
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 874459-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

874459-65-1 / [4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]boronic acid

Standard CAS: 874459-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874459-65-1
Multi CAS
No
Molecular Formula
BC10H16NO5S
Molecular Weight
273.120000
Exact Mass
273.084224
InChI
InChI=1S/C10H16BNO5S/c1-7(2)12-18(15,16)10-6-8(11(13)14)4-5-9(10)17-3/h4-7,12-14H,1-3H3
InChIKey
PXZRYJMVGOLEPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
68.28
TPSA
95.86

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.82
XLogP3
-0.94
Consensus LogP
-0.9
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-5.05

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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