CAS RN: 51698-33-0
Disodium Diphenylsulfone-4,4′-dichloro-3,3′-disulfonate
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260603 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20260607 | 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250913 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260303 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260531 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250202 | 5g | In stock | Shanghai | Inquiry | |
| Batchno.20250804 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: ICTD4113
- Purity/Analytical Methods: >98.0%(T)(HPLC)
51698-33-0 / disodium;2-chloro-5-(4-chloro-3-sulfonatophenyl)sulfonylbenzenesulfonate
Basic Information
CAS
51698-33-0
Multi CAS
Yes
Molecular Formula
C12H6CL2NA2O8S3
Molecular Weight
491.300000
Exact Mass
489.839725
InChI
InChI=1S/C12H8Cl2O8S3.2Na/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
InChIKey
KKEBUZUONXHUNE-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
84.28
TPSA
148.54
LogP / Solubility
WLOGP
-4.36
MLOGP
-3.8
XLogP3
-4.36
Consensus LogP
-4.17
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
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)
-8.81
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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