CAS RN: 815-82-7

Cupric tartrate

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  • Product code: starshine_CAS815-82-7
  • Purity/Analytical Methods: >99.0%
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815-82-7 / copper;2,3-dihydroxybutanedioic acid

Standard CAS: 815-82-7 Multi CAS: Yes

Basic Information

CAS
815-82-7
Multi CAS
Yes
Molecular Formula
C5H6O6U
Molecular Weight
213.630000
Exact Mass
212.946035
InChI
InChI=1S/C4H6O6.Cu/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);
InChIKey
XIPWCAOMSIUHSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
27.29
TPSA
115.06

LogP / Solubility

WLOGP
-2.13
MLOGP
-1.87
XLogP3
-2.13
Consensus LogP
-2.04
Log S (ESOL)
0.37
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.36
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)
-5.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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