CAS RN: 15500-04-6
VANADYL OXALATE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS15500-04-6
- Purity/Analytical Methods: >99.0%
15500-04-6 / oxalate;oxovanadium(2+)
Basic Information
CAS
15500-04-6
Multi CAS
No
Molecular Formula
C2O5V
Molecular Weight
154.960000
Exact Mass
154.918531
SMILES
C(=O)(C(=O)[O-])[O-].O=[V+2]
InChI
InChI=1S/C2H2O4.O.V/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;
InChIKey
OGUCKKLSDGRKSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
H-bond acceptors
5
Molar refractivity
10.7
TPSA
97.33
LogP / Solubility
WLOGP
-3.64
MLOGP
-3.2
XLogP3
-3.64
Consensus LogP
-3.49
Log S (ESOL)
1.49
Class (ESOL)
Highly soluble
Log S (Ali)
1.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.35
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)
-6.25
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H332 (91.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (95.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P403+P233, P405, and P501
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