CAS RN: 1257650-74-0

Palladium on calcium carbonate moistened with water, 5% Pd,unreduced

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Batchno.20250226 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS1257650-74-0
  • Purity/Analytical Methods: >99.0%
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1257650-74-0 / calcium;palladium(2+);dicarbonate

Standard CAS: 1257650-74-0 Multi CAS: No

Basic Information

CAS
1257650-74-0
Multi CAS
No
Molecular Formula
C2CaO6Pd
Molecular Weight
266.520000
Exact Mass
265.835560
SMILES
C(=O)([O-])[O-].C(=O)([O-])[O-].[Ca+2].[Pd+2]
InChI
InChI=1S/2CH2O3.Ca.Pd/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;2*+2/p-4
InChIKey
XGLHAVVVUOEGIO-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
6
Molar refractivity
16.55
TPSA
126.38

LogP / Solubility

WLOGP
-5.28
MLOGP
-4.64
XLogP3
-5.28
Consensus LogP
-5.07
Log S (ESOL)
1.83
Class (ESOL)
Highly soluble
Log S (Ali)
2.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.99
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)
-8.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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