CAS RN: 533-01-7
Copper benzoate
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS533-01-7
- Purity/Analytical Methods: >99.0%
533-01-7 / copper dibenzoate
Basic Information
CAS
533-01-7
Multi CAS
Yes
Molecular Formula
C15H10O4U
Molecular Weight
305.770000
Exact Mass
304.987506
InChI
InChI=1S/2C7H6O2.Cu/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
InChIKey
YEOCHZFPBYUXMC-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.55
TPSA
80.26
LogP / Solubility
WLOGP
0.1
MLOGP
0.1
XLogP3
0.1
Consensus LogP
0.1
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
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)
-4.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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