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CAS 63877-54-3 Sodium 2,4,6-Triisopropylbenzenesulfonate molecular structure lightbox
CAS RN: 63877-54-3

Sodium 2,4,6-Triisopropylbenzenesulfonate

  • Product code: SSC-173665
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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: 5g, 1g, 0.1g, 0.25g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 63877-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 4 In Stock Shanghai Inquiry
1g ≥98% 3 In Stock Beijing Inquiry
0.1g ≥98% 1 In Stock Shanghai Inquiry
0.25g ≥98% 1 In Stock Shenzhen Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

63877-54-3 / sodium 2,4,6-tri(propan-2-yl)benzenesulfonate

Standard CAS: 63877-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63877-54-3
Multi CAS
No
Molecular Formula
C15H23NAO3S
Molecular Weight
306.400000
Exact Mass
306.126560
InChI
InChI=1S/C15H24O3S.Na/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;/h7-11H,1-6H3,(H,16,17,18);/q;+1/p-1
InChIKey
ZACOHNQVNKGMLQ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
76.67
TPSA
57.2

LogP / Solubility

WLOGP
0.96
MLOGP
0.86
XLogP3
0.96
Consensus LogP
0.93
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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