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 |
141-95-7 / disodium;propanedioate
Basic Information
CAS
141-95-7
Multi CAS
No
Molecular Formula
C3H2Na2O4
Molecular Weight
148.020000
Exact Mass
147.974847
SMILES
C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKey
PRWXGRGLHYDWPS-UHFFFAOYSA-L
Physical Properties
Physical Description
White crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
14.63
TPSA
80.26
LogP / Solubility
WLOGP
-9.12
MLOGP
-8.03
XLogP3
-9.12
Consensus LogP
-8.76
Log S (ESOL)
5.12
Class (ESOL)
Highly soluble
Log S (Ali)
5.81
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.7
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)
-10.1
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
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 22 of 22 companies. For more detailed information, please visit ECHA C&L website.
