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CAS 778-28-9 Butyl p-Toluenesulfonate molecular structure lightbox
CAS RN: 778-28-9

Butyl p-Toluenesulfonate

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260405 100ml In stock Shandong Inquiry
Batchno.20251111 25ml In stock Shanghai, Shandong Inquiry
Batchno.20250616 5ml In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 100ml In stock Inquiry
Batchno.20250219 25ml In stock Inquiry
Batchno.20250924 500ml In stock Inquiry
Batchno.20250225 5ml In stock Inquiry
  • Product code: SSC-187320
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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: 25g, 5g, 10g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 778-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Beijing Inquiry
100g ≥97% 3 In Stock Shanghai Inquiry

778-28-9 / butyl 4-methylbenzenesulfonate

Standard CAS: 778-28-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
778-28-9
Multi CAS
No
Molecular Formula
C11H16O3S
Molecular Weight
228.310000
Exact Mass
228.082016
InChI
InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey
QYJXDIUNDMRLAO-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear yellow-brown liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
59.22
TPSA
43.37

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.7
Consensus LogP
2.47
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.34

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

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