CAS RN: 39616-93-8
Diphenylsulfone-3,3′-disulfonic Acid Disodium Salt
- Product code: SSC-147316
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
39616-93-8 / disodium;3-(3-sulfonatophenyl)sulfonylbenzenesulfonate
Basic Information
CAS
39616-93-8
Multi CAS
Yes
Molecular Formula
C12H8NA2O8S3
Molecular Weight
422.400000
Exact Mass
421.917669
InChI
InChI=1S/C12H10O8S3.2Na/c13-21(14,9-3-1-5-11(7-9)22(15,16)17)10-4-2-6-12(8-10)23(18,19)20;;/h1-8H,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2
InChIKey
GOPLREGDBGPRSC-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
74.26
TPSA
148.54
LogP / Solubility
WLOGP
-5.66
MLOGP
-4.96
XLogP3
-5.66
Consensus LogP
-5.43
Log S (ESOL)
1.02
Class (ESOL)
Highly soluble
Log S (Ali)
1.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.82
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)
-9.32
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
