CAS RN: 66992-27-6
N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid sodium salt
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-176641
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: 100g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
66992-27-6 / sodium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate
Basic Information
CAS
66992-27-6
Multi CAS
Yes
Molecular Formula
C6H14NNAO5S
Molecular Weight
235.240000
Exact Mass
235.049038
InChI
InChI=1S/C6H15NO5S.Na/c8-4-1-7(2-5-9)3-6-13(10,11)12;/h8-9H,1-6H2,(H,10,11,12);/q;+1/p-1
InChIKey
CFQLQLSIZOWFNV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
45.18
TPSA
100.9
LogP / Solubility
WLOGP
-5.18
MLOGP
-4.55
XLogP3
-5.18
Consensus LogP
-4.97
Log S (ESOL)
2.43
Class (ESOL)
Highly soluble
Log S (Ali)
2.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.27
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)
-7.83
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
1.5
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