CAS RN: 14783-10-9
DICHLORO(1,10-PHENANTHROLINE)PALLADIUM(II)
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS14783-10-9
- Purity/Analytical Methods: >99.0%
14783-10-9 / dichloropalladium;1,10-phenanthroline
Basic Information
CAS
14783-10-9
Multi CAS
No
Molecular Formula
C12H8Cl2N2Pd
Molecular Weight
357.500000
Exact Mass
355.909930
SMILES
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl[Pd]Cl
InChI
InChI=1S/C12H8N2.2ClH.Pd/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKey
YGAISFRMWCCXCG-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
68.75
TPSA
25.78
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
4.16
Consensus LogP
4
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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