CAS RN: 1887-02-1
Tetrahydroxy-1,4-benzoquinone Disodium Salt
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-087830
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 | Shenzhen | Inquiry |
1887-02-1 / disodium;4,6-dihydroxy-2,5-dioxocyclohexa-3,6-diene-1,3-diolate
Basic Information
CAS
1887-02-1
Multi CAS
No
Molecular Formula
C6H2Na2O6
Molecular Weight
216.060000
Exact Mass
215.964676
SMILES
C1(=C(C(=O)C(=C(C1=O)O)[O-])[O-])O.[Na+].[Na+]
InChI
InChI=1S/C6H4O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8,11-12H;;/q;2*+1/p-2
InChIKey
SOSMJTGSYNGZAV-UHFFFAOYSA-L
Physical Properties
Physical Description
Dark green lustrous crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
H-bond acceptors
6
H-bond donors
2
Molar refractivity
29.32
TPSA
120.72
LogP / Solubility
WLOGP
-8.59
MLOGP
-7.56
XLogP3
-8.59
Consensus LogP
-8.25
Log S (ESOL)
4.23
Class (ESOL)
Highly soluble
Log S (Ali)
4.87
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.07
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)
-10.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
