CAS RN: 2944-68-5
FERRIC TARTRATE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS2944-68-5
- Purity/Analytical Methods: >99.0%
2944-68-5 / tris(2,3-dihydroxybutanedioate);bis(iron(3+))
Basic Information
CAS
2944-68-5
Multi CAS
Yes
Molecular Formula
C12H12FE2O18
Molecular Weight
555.900000
Exact Mass
555.872235
InChI
InChI=1S/3C4H6O6.2Fe/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;/q;;;2*+3/p-6/t3*1-,2-;;/m111../s1
InChIKey
SFOKDWPZOYRZFF-YDXPQRMKSA-H
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
18
H-bond donors
6
Molar refractivity
66.08
TPSA
362.16
LogP / Solubility
WLOGP
-14.38
MLOGP
-12.61
XLogP3
-14.38
Consensus LogP
-13.79
Log S (ESOL)
6.37
Class (ESOL)
Highly soluble
Log S (Ali)
6.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.58
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-16.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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