CAS RN: 14096-51-6

DICHLORO(ETHYLENEDIAMINE)PLATINUM(II)

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  • Product code: starshine_CAS14096-51-6
  • Purity/Analytical Methods: >99.0%
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14096-51-6 / dichloroplatinum;ethane-1,2-diamine

Standard CAS: 14096-51-6 Multi CAS: No

Basic Information

CAS
14096-51-6
Multi CAS
No
Molecular Formula
C2H8Cl2N2Pt
Molecular Weight
326.090000
Exact Mass
324.971248
SMILES
C(CN)N.Cl[Pt]Cl
InChI
InChI=1S/C2H8N2.2ClH.Pt/c3-1-2-4;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKey
LMABILRJNNFCPG-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.81
TPSA
52.04

LogP / Solubility

WLOGP
0.28
MLOGP
0.26
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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