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CAS 59158-14-4 Methyltri-n-octylammonium Hydrogen Sulfate molecular structure lightbox
CAS RN: 59158-14-4

Methyltri-n-octylammonium Hydrogen Sulfate

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 100g Out of stock Inquiry
Batchno.20250821 1g In stock Inquiry
Batchno.20250517 25g Out of stock Inquiry
Batchno.20260107 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260325 25g In stock Shanghai Inquiry
Batchno.20250307 500g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-167563
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 59158-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

59158-14-4 / hydrogen sulfate;methyl(trioctyl)azanium

Standard CAS: 59158-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59158-14-4
Multi CAS
Yes
Molecular Formula
C25H55NO4S
Molecular Weight
465.800000
Exact Mass
465.385180
InChI
InChI=1S/C25H54N.H2O4S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-5(2,3)4/h5-25H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey
MWSPFHZPVVWJCO-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
3
H-bond donors
1
Molar refractivity
133.24
TPSA
77.43

LogP / Solubility

WLOGP
7.52
MLOGP
6.65
XLogP3
7.52
Consensus LogP
7.23
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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