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CAS 1215877-64-7 XPhos Au(MeCN)SbF6 molecular structure lightbox
CAS RN: 1215877-64-7

XPhos Au(MeCN)SbF6

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260626 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260324 1g In stock Chengdu Inquiry
Batchno.20250802 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1215877-64-7
  • Purity/Analytical Methods: >99.0%
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1215877-64-7 / acetonitrile;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;gold(1+);hexafluoroantimony(1-)

Standard CAS: 1215877-64-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1215877-64-7
Multi CAS
No
Molecular Formula
C35H52AuF6NPSb
Molecular Weight
950.500000
Exact Mass
949.244540
SMILES
CC#N.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.F[Sb-](F)(F)(F)(F)F.[Au+]
InChI
InChI=1S/C33H49P.C2H3N.Au.6FH.Sb/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-2-3;;;;;;;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1H3;;6*1H;/q;;+1;;;;;;;+5/p-6
InChIKey
PVKYSBDDIOTPED-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.63
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
178.13
TPSA
23.79

LogP / Solubility

WLOGP
13.16
MLOGP
11.67
XLogP3
13.16
Consensus LogP
12.66
Log S (ESOL)
-13.76
Class (ESOL)
Insoluble
Log S (Ali)
-16.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.6
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.83

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
4.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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