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: ＞95%
- 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 | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
4316-73-8 / sodium 2-(methylamino)acetate
Basic Information
CAS
4316-73-8
Multi CAS
Yes
Molecular Formula
C3H6NNAO2
Molecular Weight
111.080000
Exact Mass
111.029623
InChI
InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
InChIKey
ZUFONQSOSYEWCN-UHFFFAOYSA-M
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
18.93
TPSA
52.16
LogP / Solubility
WLOGP
-5.04
MLOGP
-4.45
XLogP3
-5.04
Consensus LogP
-4.84
Log S (ESOL)
2.78
Class (ESOL)
Highly soluble
Log S (Ali)
3.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.56
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)
-6.98
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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