CAS RN: 3709-43-1
Disodium 4,4′-Dinitrostilbene-2,2′-disulfonate
- Product code: SSC-144411
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: 100g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
3709-43-1 / disodium;5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
Basic Information
CAS
3709-43-1
Multi CAS
Yes
Molecular Formula
C14H8N2NA2O10S2
Molecular Weight
474.300000
Exact Mass
473.941575
InChI
InChI=1S/C14H10N2O10S2.2Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChIKey
SDCDTWFAOKXZHD-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
91.05
TPSA
200.68
LogP / Solubility
WLOGP
-4.51
MLOGP
-3.94
XLogP3
-4.51
Consensus LogP
-4.32
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.28
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)
-8.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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4-Cyano-4′-nitrodiphenyl
- CAS RN: 31835-63-9
- Product Code: ICTC1301
- Purity/Analytical method: >98.0%(GC)
