CAS RN: 14872-20-9
DICHLOROBIS(PYRIDINE)PALLADIUM(II)
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS14872-20-9
- Purity/Analytical Methods: >99.0%
14872-20-9 / dichloropalladium;bis(pyridine)
Basic Information
CAS
14872-20-9
Multi CAS
No
Molecular Formula
C10H10Cl2N2Pd
Molecular Weight
335.500000
Exact Mass
333.925580
SMILES
C1=CC=NC=C1.C1=CC=NC=C1.Cl[Pd]Cl
InChI
InChI=1S/2C5H5N.2ClH.Pd/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKey
NAJDBPACANOPMA-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
60.18
TPSA
25.78
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.54
Consensus LogP
3.4
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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