CAS RN: 42494-73-5

BPV(PHEN)

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250509 10mg Out of stock Inquiry
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  • Product code: starshine_CAS42494-73-5
  • Purity/Analytical Methods: >99.0%
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42494-73-5 / potassium;hydrogen peroxide;1,10-phenanthroline;vanadium;hydroxide;trihydrate

Standard CAS: 42494-73-5 Multi CAS: Yes

Basic Information

CAS
42494-73-5
Multi CAS
Yes
Molecular Formula
C12H19KN2O8V
Molecular Weight
409.330000
Exact Mass
409.021805
InChI
InChI=1S/C12H8N2.K.2H2O2.4H2O.V/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*1-2;;;;;/h1-8H;;2*1-2H;4*1H2;/q;+1;;;;;;;/p-1
InChIKey
GZEXWPZCNNQQRZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
H-bond acceptors
7
H-bond donors
4
Molar refractivity
80.34
TPSA
231.2

LogP / Solubility

WLOGP
-2.83
MLOGP
-2.47
XLogP3
-2.83
Consensus LogP
-2.71
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.23

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
2.5

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