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CAS 1140531-94-7 tert-Butyl XPhos Au(MeCN)SbF6 molecular structure lightbox
CAS RN: 1140531-94-7

tert-Butyl XPhos Au(MeCN)SbF6

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260207 100mg In stock Shanghai Inquiry
Batchno.20260404 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20251202 1g Out of stock Inquiry
Batchno.20260405 250mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-013948
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1140531-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1140531-94-7 / acetonitrile;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;gold(1+);hexafluoroantimony(1-)

MFCD20527203

Standard CAS: 1140531-94-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1140531-94-7
Multi CAS
Yes
Molecular Formula
C31H48AuF6NPSb
Molecular Weight
898.400000
Exact Mass
897.213240
SMILES
CC#N.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.F[Sb-](F)(F)(F)(F)F.[Au+]
InChI
InChI=1S/C29H45P.C2H3N.Au.6FH.Sb/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-2-3;;;;;;;;/h13-21H,1-12H3;1H3;;6*1H;/q;;+1;;;;;;;+5/p-6
InChIKey
PYTYQNZDJXLXIE-UHFFFAOYSA-H
Synonyms
MFCD20527203

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.58
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
163.89
TPSA
23.79

LogP / Solubility

WLOGP
12.1
MLOGP
10.73
XLogP3
12.1
Consensus LogP
11.64
Log S (ESOL)
-12.92
Class (ESOL)
Insoluble
Log S (Ali)
-15.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.14
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)
0.39

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501

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