CAS RN: 38213-69-3
Bis(maltolato)oxovanadium(IV)
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS38213-69-3
- Purity/Analytical Methods: >99.0%
38213-69-3 / bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)
Basic Information
CAS
38213-69-3
Multi CAS
Yes
Molecular Formula
C12H10O7V
Molecular Weight
317.140000
Exact Mass
316.986610
InChI
InChI=1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2
InChIKey
XUOLEICXAPEOSI-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.17
H-bond acceptors
7
Molar refractivity
59.01
TPSA
123.61
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.05
XLogP3
-0.08
Consensus LogP
-0.07
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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(5-BROMO-1-BENZOFURAN-2-YL)METHANOL
- CAS RN: 38220-77-8
- Product Code: starshine_CAS38220-77-8
- Purity/Analytical method: >99.0%
