CAS RN: 50996-85-5

Tris Dodecyl Sulfate [for Biochemical Research]

  • Product code: SSC-157737
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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: 1g
  • 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 50996-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

50996-85-5 / 2-amino-2-(hydroxymethyl)propane-1,3-diol;dodecyl hydrogen sulfate

Standard CAS: 50996-85-5 Multi CAS: Yes

Basic Information

CAS
50996-85-5
Multi CAS
Yes
Molecular Formula
C16H37NO7S
Molecular Weight
387.500000
Exact Mass
387.229074
InChI
InChI=1S/C12H26O4S.C4H11NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;5-4(1-6,2-7)3-8/h2-12H2,1H3,(H,13,14,15);6-8H,1-3,5H2
InChIKey
TYTUELFFKLZOTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
5
Molar refractivity
97.52
TPSA
150.31

LogP / Solubility

WLOGP
1.39
MLOGP
1.24
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

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

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