CAS RN: 562-54-9
Potassium methyl sulfate
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS562-54-9
- Purity/Analytical Methods: >99.0%
562-54-9 / potassium methyl sulfate
Basic Information
CAS
562-54-9
Multi CAS
Yes
Molecular Formula
CH3KO4S
Molecular Weight
150.200000
Exact Mass
149.938911
InChI
InChI=1S/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
InChIKey
WBGWGHYJIFOATF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
16.71
TPSA
66.43
LogP / Solubility
WLOGP
-3.9
MLOGP
-3.44
XLogP3
-3.9
Consensus LogP
-3.75
Log S (ESOL)
1.75
Class (ESOL)
Highly soluble
Log S (Ali)
2.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.48
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)
-6.41
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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