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CAS 1121960-90-4 Bis(trifluoroMethanesulfonyl)iMide(2-dicyclohexylphosphino-2′,6′-diMethoxy-1,1′-biphenyl)gold(I) molecular structure lightbox
CAS RN: 1121960-90-4

Bis(trifluoroMethanesulfonyl)iMide(2-dicyclohexylphosphino-2′,6′-diMethoxy-1,1′-biphenyl)gold(I)

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260104 100mg In stock Shanghai Inquiry
Batchno.20250312 100mg / 500mg Out of stock 8-10 business days Inquiry
Batchno.20250427 1g In stock Shanghai Inquiry
Batchno.20260406 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250518 5g In stock Shanghai Inquiry
  • Product code: SSC-012652
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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: 1g
  • Available purity: ＞97%
  • 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 1121960-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1121960-90-4 / bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold(1+)

Bis(trifluoromethanesulfonyl)imide(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl)gold(I) | 2-Dicyclohexyl(2 inverted exclamation marka,6 inverted exclamation marka-dimethoxybiphenyl)phosphine gold(I) bis(trifluoromethylsulfonyl)imide | 2-Dicyclohexyl(2',6'-dimethoxybiphenyl)phosphine gold(I) bis(trifluoromethylsulfonyl)imide

Standard CAS: 1121960-90-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1121960-90-4
Multi CAS
Yes
Molecular Formula
C28H36AuF6NO6PS2+
Molecular Weight
888.700000
Exact Mass
888.129156
SMILES
COC1=C(C(=CC=C1)OC)C2=CC=CC=C2[PH+](C3CCCCC3)C4CCCCC4.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Au+]
InChI
InChI=1S/C26H35O2P.C2F6NO4S2.Au/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9-11,16-21H,3-8,12-15H2,1-2H3;;/q;-1;+1/p+1
InChIKey
DCWMCSDFBBTUCM-UHFFFAOYSA-O
Synonyms
Bis(trifluoromethanesulfonyl)imide(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl)gold(I) 2-Dicyclohexyl(2 inverted exclamation marka,6 inverted exclamation marka-dimethoxybiphenyl)phosphine gold(I) bis(trifluoromethylsulfonyl)imide 2-Dicyclohexyl(2',6'-dimethoxybiphenyl)phosphine gold(I) bis(trifluoromethylsulfonyl)imide bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold(1+) CS-0111108

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
159.99
TPSA
100.84

LogP / Solubility

WLOGP
7.93
MLOGP
7.06
XLogP3
7.93
Consensus LogP
7.64
Log S (ESOL)
-10.02
Class (ESOL)
Insoluble
Log S (Ali)
-12.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51

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
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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