CAS RN: 52207-48-4
Molosultap
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260408 | 100mg | In stock | Shanghai, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS52207-48-4
- Purity/Analytical Methods: >99.0%
52207-48-4 / disodium;2-(dimethylamino)-1,3-bis(sulfonatosulfanyl)propane
Basic Information
CAS
52207-48-4
Multi CAS
Yes
Molecular Formula
C5H11NNA2O6S4
Molecular Weight
355.400000
Exact Mass
354.926460
InChI
InChI=1S/C5H13NO6S4.2Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
InChIKey
QSOHVSNIQHGFJU-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
9
Molar refractivity
61.79
TPSA
117.64
LogP / Solubility
WLOGP
-6.69
MLOGP
-5.87
XLogP3
-6.69
Consensus LogP
-6.42
Log S (ESOL)
2.63
Class (ESOL)
Highly soluble
Log S (Ali)
2.35
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.74
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)
-9.64
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
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