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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
36275-66-8 / disodium;2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
Basic Information
CAS
36275-66-8
Multi CAS
Yes
Molecular Formula
C6CL2NA2O4
Molecular Weight
252.940000
Exact Mass
251.896902
InChI
InChI=1S/C6H2Cl2O4.2Na/c7-1-3(9)5(11)2(8)6(12)4(1)10;;/h9,12H;;/q;2*+1/p-2
InChIKey
FITANBHHCLWRKG-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
14
H-bond acceptors
4
Molar refractivity
35.77
TPSA
80.26
LogP / Solubility
WLOGP
-7.23
MLOGP
-6.36
XLogP3
-7.23
Consensus LogP
-6.94
Log S (ESOL)
3.15
Class (ESOL)
Highly soluble
Log S (Ali)
3.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.7
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)
-9.4
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
Yes
Synthetic Accessibility
1.5
