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CAS 854045-92-4 Cyclohexyl JohnPhos AuCl molecular structure lightbox
CAS RN: 854045-92-4

Cyclohexyl JohnPhos AuCl

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260515 100mg In stock Shanghai Inquiry
Batchno.20260612 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251031 1g In stock Shanghai Inquiry
Batchno.20251102 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS854045-92-4
  • Purity/Analytical Methods: >99.0%
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854045-92-4 / chlorogold;dicyclohexyl-(2-phenylphenyl)phosphane

Standard CAS: 854045-92-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854045-92-4
Multi CAS
Yes
Molecular Formula
C24H31AUCLP
Molecular Weight
582.900000
Exact Mass
582.151761
InChI
InChI=1S/C24H31P.Au.ClH/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;;/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2;;1H/q;+1;/p-1
InChIKey
XDZKBEGPIOIGLI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
Molar refractivity
118.03
TPSA
0.0000

LogP / Solubility

WLOGP
7.81
MLOGP
6.92
XLogP3
7.81
Consensus LogP
7.51
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-9.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.73

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
3

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