CAS RN: 50315-14-5
COPPER (II) NEODECANOATE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS50315-14-5
- Purity/Analytical Methods: >99.0%
50315-14-5 / copper bis(7,7-dimethyloctanoate)
Basic Information
CAS
50315-14-5
Multi CAS
Yes
Molecular Formula
C21H38O4U
Molecular Weight
406.100000
Exact Mass
405.206607
InChI
InChI=1S/2C10H20O2.Cu/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKey
CLUOTFHJTGLPSG-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.9
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
95.09
TPSA
80.26
LogP / Solubility
WLOGP
3.46
MLOGP
3.07
XLogP3
3.46
Consensus LogP
3.33
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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