CAS RN: 47163-75-7
Zinc(II) benzenesulfinate dihydrate
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS47163-75-7
- Purity/Analytical Methods: >99.0%
47163-75-7 / dioxidanium;zinc;benzenesulfinate
Basic Information
CAS
47163-75-7
Multi CAS
Yes
Molecular Formula
C12H16O6S2ZN+2
Molecular Weight
385.800000
Exact Mass
383.967972
InChI
InChI=1S/2C6H6O2S.2H2O.Zn/c2*7-9(8)6-4-2-1-3-5-6;;;/h2*1-5H,(H,7,8);2*1H2;/q;;;;+2
InChIKey
NTUATFLSTOSLCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77
TPSA
146.26
LogP / Solubility
MLOGP
0.02
Consensus LogP
0.01
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-5.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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