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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
676-46-0 / disodium;2-hydroxybutanedioate
Basic Information
CAS
676-46-0
Multi CAS
Yes
Molecular Formula
C4H4NA2O5
Molecular Weight
178.050000
Exact Mass
177.985412
InChI
InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKey
WPUMTJGUQUYPIV-UHFFFAOYSA-L
Physical Properties
Physical Description
White crystalline powder or lumps
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
20.64
TPSA
100.49
LogP / Solubility
WLOGP
-9.75
MLOGP
-8.59
XLogP3
-9.75
Consensus LogP
-9.36
Log S (ESOL)
5.4
Class (ESOL)
Highly soluble
Log S (Ali)
6.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.92
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)
-10.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
