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CAS 866395-16-6 [Bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I) molecular structure lightbox
CAS RN: 866395-16-6

[Bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I)

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9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250206 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251101 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250630 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250218 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 100mg Out of stock Inquiry
Batchno.20260501 1g Out of stock Inquiry
Batchno.20251108 250mg Out of stock Inquiry
Batchno.20250526 5g Out of stock Inquiry
  • Product code: starshine_CAS866395-16-6
  • Purity/Analytical Methods: >99.0%
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866395-16-6 / gold;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;triphenylphosphane

Standard CAS: 866395-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
866395-16-6
Multi CAS
Yes
Molecular Formula
AuC20F6H16NO4PS2
Molecular Weight
740.400000
Exact Mass
739.982826
InChI
InChI=1S/C18H15P.C2HF6NO4S2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-15H;9H;
InChIKey
NHQDMRDVFXURDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
118.23
TPSA
80.31

LogP / Solubility

WLOGP
3.72
MLOGP
3.34
XLogP3
3.72
Consensus LogP
3.59
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.6

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

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