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CAS 6850-28-8 Tris(hydroxymethyl)aminomethane Acetate molecular structure lightbox
CAS RN: 6850-28-8

Tris(hydroxymethyl)aminomethane Acetate

  • Product code: SSC-178223
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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: 500g
  • Available purity: ≥98%
  • 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 6850-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

6850-28-8 / [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium acetate

Standard CAS: 6850-28-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6850-28-8
Multi CAS
Yes
Molecular Formula
C6H15NO5
Molecular Weight
181.190000
Exact Mass
181.095023
InChI
InChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)
InChIKey
PIEPQKCYPFFYMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
4
Molar refractivity
37.56
TPSA
128.46

LogP / Solubility

WLOGP
-4.3
MLOGP
-3.79
XLogP3
-4.3
Consensus LogP
-4.13
Log S (ESOL)
1.94
Class (ESOL)
Highly soluble
Log S (Ali)
2.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.37
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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