[email protected]
CAS 1434128-54-7 1,2,4-Tris(Methylsulfonyl)benzene molecular structure lightbox
CAS RN: 1434128-54-7

1,2,4-Tris(Methylsulfonyl)benzene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-054842
GET A QUOTE
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
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1434128-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

1434128-54-7 / 1,2,4-tris(methylsulfonyl)benzene

Standard CAS: 1434128-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434128-54-7
Multi CAS
No
Molecular Formula
C9H12O6S3
Molecular Weight
312.400000
Exact Mass
311.979602
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)C
InChI
InChI=1S/C9H12O6S3/c1-16(10,11)7-4-5-8(17(2,12)13)9(6-7)18(3,14)15/h4-6H,1-3H3
InChIKey
IHTNOEYDMIRNJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
65.77
TPSA
102.42

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.08
XLogP3
-0.4
Consensus LogP
-0.19
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.7

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us