CAS RN: 36589-58-9
Disodium 1,3-Propanedisulfonate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-143783
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 | Shanghai | Inquiry |
36589-58-9 / disodium;propane-1,3-disulfonate
Basic Information
CAS
36589-58-9
Multi CAS
Yes
Molecular Formula
C3H6NA2O6S2
Molecular Weight
248.200000
Exact Mass
247.940119
InChI
InChI=1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2
InChIKey
DKGJFKPIUSHDIT-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
33.75
TPSA
114.4
LogP / Solubility
WLOGP
-7.53
MLOGP
-6.62
XLogP3
-7.53
Consensus LogP
-7.23
Log S (ESOL)
3.63
Class (ESOL)
Highly soluble
Log S (Ali)
3.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.49
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)
-9.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
Potassium p-Tolyl Sulfate
- CAS RN: 91978-69-7
- Product Code: ICTP2091
- Purity/Analytical method: >98.0%(T)(HPLC)
-
-
