CAS RN: 139-41-3
N,N-BIS(2-HYDROXYETHYL)GLYCINE SODIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260510 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS139-41-3
- Purity/Analytical Methods: >99.0%
139-41-3 / sodium 2-[bis(2-hydroxyethyl)amino]acetate
Basic Information
CAS
139-41-3
Multi CAS
No
Molecular Formula
C6H12NNaO4
Molecular Weight
185.150000
Exact Mass
185.066402
SMILES
C(CO)N(CCO)CC(=O)[O-].[Na+]
InChI
InChI=1S/C6H13NO4.Na/c8-3-1-7(2-4-9)5-6(10)11;/h8-9H,1-5H2,(H,10,11);/q;+1/p-1
InChIKey
MFBDBXAVPLFMNJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
35.62
TPSA
83.83
LogP / Solubility
WLOGP
-5.97
MLOGP
-5.26
XLogP3
-5.97
Consensus LogP
-5.73
Log S (ESOL)
3.17
Class (ESOL)
Highly soluble
Log S (Ali)
3.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.37
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)
-8.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 58 of 58 companies. For more detailed information, please visit ECHA C&L website.
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