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CAS 1433960-19-0 SodiuM 2-(diMethylaMino)-1-hydroxyethanesulfonate molecular structure lightbox
CAS RN: 1433960-19-0

SodiuM 2-(diMethylaMino)-1-hydroxyethanesulfonate

  • Product code: SSC-054778
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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: 5g
  • 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 1433960-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1433960-19-0 / sodium 2-(dimethylamino)-1-hydroxyethanesulfonate

Standard CAS: 1433960-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1433960-19-0
Multi CAS
No
Molecular Formula
C4H10NNaO4S
Molecular Weight
191.180000
Exact Mass
191.022823
SMILES
CN(C)CC(O)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C4H11NO4S.Na/c1-5(2)3-4(6)10(7,8)9;/h4,6H,3H2,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKey
IXCOLRNWVTZDBE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
34.26
TPSA
80.67

LogP / Solubility

WLOGP
-4.58
MLOGP
-4.04
XLogP3
-4.58
Consensus LogP
-4.4
Log S (ESOL)
2.06
Class (ESOL)
Highly soluble
Log S (Ali)
2.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.54
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)
-7.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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