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CAS 68052-51-7 tributylethylammonium ethyl sulphate molecular structure lightbox
CAS RN: 68052-51-7

tributylethylammonium ethyl sulphate

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100g Out of stock Inquiry
Batchno.20260220 25g Out of stock Inquiry
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Batchno.20250204 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS68052-51-7
  • Purity/Analytical Methods: >99.0%
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68052-51-7 / ethyl sulfate;tributyl(ethyl)azanium

Standard CAS: 68052-51-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68052-51-7
Multi CAS
Yes
Molecular Formula
C16H37NO4S
Molecular Weight
339.500000
Exact Mass
339.244330
InChI
InChI=1S/C14H32N.C2H6O4S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-2-6-7(3,4)5/h5-14H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChIKey
GELDODMEEMXBIV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
91.45
TPSA
66.43

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
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)
-2.16

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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