CAS RN: 867-64-1
GADOLINIUM OXALATE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS867-64-1
- Purity/Analytical Methods: >99.0%
867-64-1 / bis(gadolinium(3+));oxalate
Basic Information
CAS
867-64-1
Multi CAS
Yes
Molecular Formula
C6Gd2O12
Molecular Weight
578.550000
Exact Mass
581.790150
InChI
InChI=1S/3C2H2O4.2Gd/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
InChIKey
SQORATIMOBOFKR-UHFFFAOYSA-H
Computed Properties
Structural Parameters
Heavy atom count
20
H-bond acceptors
12
Molar refractivity
30.04
TPSA
240.78
LogP / Solubility
WLOGP
-10.54
MLOGP
-9.23
XLogP3
-10.54
Consensus LogP
-10.1
Log S (ESOL)
3.21
Class (ESOL)
Highly soluble
Log S (Ali)
3.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.33
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)
-13.73
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
1.5
Customers Also Viewed
-
-
H-ILE-GLY-OH
- CAS RN: 868-28-0
- Product Code: starshine_CAS868-28-0
- Purity/Analytical method: >99.0%
-
-
-
-
N1-ISOPROPYL-2-METHYLPROPANAMIDE
- CAS RN: 869-07-8
- Product Code: starshine_CAS869-07-8
- Purity/Analytical method: >99.0%
