CAS RN: 14056-88-3

CIS-DICHLOROBIS(TRIPHENYLPHOSPHINE)PLATINUM(II)

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  • Product code: starshine_CAS14056-88-3
  • Purity/Analytical Methods: >99.0%
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14056-88-3 / dichloroplatinum;bis(triphenylphosphane)

Standard CAS: 14056-88-3 Multi CAS: No

Basic Information

CAS
14056-88-3
Multi CAS
No
Molecular Formula
C36H30Cl2P2Pt
Molecular Weight
790.600000
Exact Mass
789.084775
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pt]Cl
InChI
InChI=1S/2C18H15P.2ClH.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKey
XAFJSPPHVXDRIE-UHFFFAOYSA-L

Physical Properties

Physical Description
Yellow crystals.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
36
Rotatable bonds
6
Molar refractivity
182
TPSA
0.0000

LogP / Solubility

WLOGP
8.27
MLOGP
7.35
XLogP3
8.27
Consensus LogP
7.96
Log S (ESOL)
-10.2
Class (ESOL)
Insoluble
Log S (Ali)
-12.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye 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 P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501

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