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CAS 65411-49-6 TETRABUTYLAMMONIUM METHANESULFONATE molecular structure lightbox
CAS RN: 65411-49-6

TETRABUTYLAMMONIUM METHANESULFONATE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 10g In stock Shanghai Inquiry
Batchno.20251023 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250305 25g In stock Shanghai Inquiry
Batchno.20251027 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS65411-49-6
  • Purity/Analytical Methods: >99.0%
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65411-49-6 / methanesulfonate;tetrabutylazanium

Standard CAS: 65411-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65411-49-6
Multi CAS
Yes
Molecular Formula
C17H39NO3S
Molecular Weight
337.600000
Exact Mass
337.265065
InChI
InChI=1S/C16H36N.CH4O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
XHYYGJAYKIYARQ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
3
Molar refractivity
94.98
TPSA
57.2

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
4.17
Consensus LogP
4.01
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

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

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