CAS RN: 30252-40-5
Potassium 7-Hydroxy-1-naphthalenesulfonate (contains isomer)
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: ICTN0075
- Purity/Analytical Methods: >90.0%(HPLC)
30252-40-5 / potassium 7-hydroxynaphthalene-1-sulfonate
Basic Information
CAS
30252-40-5
Multi CAS
Yes
Molecular Formula
C10H7KO4S
Molecular Weight
262.330000
Exact Mass
261.970211
InChI
InChI=1S/C10H8O4S.K/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKey
UZBFJXMJCARTGH-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.58
TPSA
77.43
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.35
XLogP3
-1.55
Consensus LogP
-1.48
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very 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)
-5.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
