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CAS 156397-47-6 Triphenylphosphinegold(I) trifluoromethanesulfonate molecular structure lightbox
CAS RN: 156397-47-6

Triphenylphosphinegold(I) trifluoromethanesulfonate

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 100mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260510 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250618 1g In stock Shanghai Inquiry
Batchno.20250201 250mg In stock Shanghai Inquiry
Batchno.20250105 5g In stock Shanghai Inquiry
  • Product code: LINT905556
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156397-47-6 / gold(1+);trifluoromethanesulfonate;triphenylphosphane

Standard CAS: 156397-47-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
156397-47-6
Multi CAS
No
Molecular Formula
C19H15AuF3O3PS
Molecular Weight
608.300000
Exact Mass
608.009732
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Au+]
InChI
InChI=1S/C18H15P.CHF3O3S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7;/h1-15H;(H,5,6,7);/q;;+1/p-1
InChIKey
PKNGCXGJNWEWTH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
100.9
TPSA
57.2

LogP / Solubility

WLOGP
3.49
MLOGP
3.12
XLogP3
3.49
Consensus LogP
3.37
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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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