CAS RN: 946843-80-7
Cupric tartrate hydrate, Tartaric acid cupric salt
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS946843-80-7
- Purity/Analytical Methods: >99.0%
946843-80-7 / copper;(2R,3R)-2,3-dihydroxybutanedioate;hydrate
Basic Information
CAS
946843-80-7
Multi CAS
Yes
Molecular Formula
C5H6O7U
Molecular Weight
229.630000
Exact Mass
228.940950
InChI
InChI=1S/C4H6O6.Cu.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+2;/p-2/t1-,2-;;/m1../s1
InChIKey
MAUZTCHAIPUZJB-OLXYHTOASA-L
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
25.64
TPSA
152.22
LogP / Solubility
WLOGP
-5.62
MLOGP
-4.94
XLogP3
-5.62
Consensus LogP
-5.39
Log S (ESOL)
2.47
Class (ESOL)
Highly soluble
Log S (Ali)
2.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.15
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)
-8.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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