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CAS 1686-23-3 VANADIUM(V) OXYTRIPROPOXIDE molecular structure lightbox
CAS RN: 1686-23-3

VANADIUM(V) OXYTRIPROPOXIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250726 1ml / 5ml Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1686-23-3
  • Purity/Analytical Methods: >99.0%
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1686-23-3 / oxovanadium;tris(propan-1-ol)

Standard CAS: 1686-23-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1686-23-3
Multi CAS
No
Molecular Formula
C9H24O4V
Molecular Weight
247.230000
Exact Mass
247.111417
SMILES
CCCO.CCCO.CCCO.O=[V]
InChI
InChI=1S/3C3H8O.O.V/c3*1-2-3-4;;/h3*4H,2-3H2,1H3;;
InChIKey
SJNANEOQLCKOKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
52.82
TPSA
77.76

LogP / Solubility

WLOGP
1.04
MLOGP
0.93
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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