![CAS 852445-83-1 Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2405-jpgcontextbwfzdgvyfhjvb3r8mzg0mzn8aw1hz2uvanblz3xom2mvadkwlzg5mjk1ntk3mdc2nzgvqzi0mduuanbnfdvhmtm0mmfjmzhlowu2yzy1mtc3mzu0mge5ytzimjzjowjmyja1zde1mjbmodc4m2ixogvjodewngfkmzu1mwi.jpeg)
CAS RN: 852445-83-1
Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I)
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250816 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260401 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250104 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20260603 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTC2405
- Purity/Analytical Methods: >98.0%(N)
852445-83-1 / [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chlorogold
Basic Information
CAS
852445-83-1
Multi CAS
Yes
Molecular Formula
C27H36AUCLN2
Molecular Weight
621.000000
Exact Mass
620.223272
InChI
InChI=1S/C27H36N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H/q;+1;/p-1
InChIKey
CNJQLSINQGKZAW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
130.55
TPSA
9.86
LogP / Solubility
WLOGP
8.53
MLOGP
7.56
XLogP3
8.53
Consensus LogP
8.21
Log S (ESOL)
-9.07
Class (ESOL)
Insoluble
Log S (Ali)
-10.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.5
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)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
