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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
5982-56-9 / ethane-1,2-disulfonic acid;dihydrate
Basic Information
CAS
5982-56-9
Multi CAS
No
Molecular Formula
C2H10O8S2
Molecular Weight
226.200000
Exact Mass
225.981710
InChI
InChI=1S/C2H6O6S2.2H2O/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);2*1H2
InChIKey
DSGUSEBCDAKBCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.06
TPSA
171.74
LogP / Solubility
WLOGP
-2.89
MLOGP
-2.54
XLogP3
-2.89
Consensus LogP
-2.77
Log S (ESOL)
0.77
Class (ESOL)
Highly soluble
Log S (Ali)
0.67
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.91
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)
-6.15
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
1.5
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