CAS RN: 722494-26-0
BPV(HOPIC)
Product Availability
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10 package records6 with current stock4 grade groups
- Product code: starshine_CAS722494-26-0
- Purity/Analytical Methods: >99.0%
722494-26-0 / dipotassium;6-carboxypyridin-3-olate;hydrogen peroxide;oxovanadium
Basic Information
CAS
722494-26-0
Multi CAS
Yes
Molecular Formula
C6H8K2NO8V
Molecular Weight
351.270000
Exact Mass
350.896362
InChI
InChI=1S/C6H5NO3.2K.2H2O2.O.V/c8-4-1-2-5(6(9)10)7-3-4;;;2*1-2;;/h1-3,8H,(H,9,10);;;2*1-2H;;/q;2*+1;;;;/p-1
InChIKey
JTNIABQIEWJHPW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
8
H-bond donors
5
Molar refractivity
41.84
TPSA
171.24
LogP / Solubility
WLOGP
-6.23
MLOGP
-5.46
XLogP3
-6.23
Consensus LogP
-5.97
Log S (ESOL)
1.72
Class (ESOL)
Highly soluble
Log S (Ali)
2.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.1
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)
-9.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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