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: ＞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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
15968-01-1 / disodium;phthalate
Basic Information
CAS
15968-01-1
Multi CAS
No
Molecular Formula
C8H4Na2O4
Molecular Weight
210.090000
Exact Mass
209.990497
SMILES
C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey
HQWKKEIVHQXCPI-UHFFFAOYSA-L
Physical Properties
Physical Description
Liquid; Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
35.1
TPSA
80.26
LogP / Solubility
WLOGP
-7.58
MLOGP
-6.67
XLogP3
-7.58
Consensus LogP
-7.28
Log S (ESOL)
3.45
Class (ESOL)
Highly soluble
Log S (Ali)
4.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.02
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)
-9.38
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 124 of 125 companies (only 0.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
