![CAS 1192141-66-4 Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene}gold(I) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1192141-66-4.gif)
CAS RN: 1192141-66-4
Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene}gold(I)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS1192141-66-4
- Purity/Analytical Methods: >99.0%
1192141-66-4 / [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]-chlorogold
MFCD34563554 | CS-0111089 | Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene}gold(I)
Basic Information
CAS
1192141-66-4
Multi CAS
Yes
Molecular Formula
C29H40AuClN2
Molecular Weight
649.100000
Exact Mass
648.254572
SMILES
CC1=C(N(C(=[Au]Cl)N1C2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC=C3C(C)C)C(C)C)C
InChI
InChI=1S/C29H40N2.Au.ClH/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;;/h11-16,18-21H,1-10H3;;1H/q;+1;/p-1
InChIKey
UUKSMZKXKMHYHK-UHFFFAOYSA-M
Synonyms
MFCD34563554
CS-0111089
Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene}gold(I)
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
140.02
TPSA
9.86
LogP / Solubility
WLOGP
9.15
MLOGP
8.1
XLogP3
9.15
Consensus LogP
8.8
Log S (ESOL)
-9.61
Class (ESOL)
Insoluble
Log S (Ali)
-11.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.19
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)
-0.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
6-Bromopteridin-4-ol
- CAS RN: 1192150-15-4
- Product Code: starshine_CAS1192150-15-4
- Purity/Analytical method: >99.0%
-
6-(trifluoromethyl)pyridazine-3-carboxylic acid
- CAS RN: 1192155-05-7
- Product Code: SSC-019714
-
Ethyl6-(trifluoromethyl)pyridazine-3-carboxylate
- CAS RN: 1192155-06-8
- Product Code: SSC-019715
-
-
3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate
- CAS RN: 1192189-69-7
- Product Code: starshine_CAS1192189-69-7
- Purity/Analytical method: >99.0%
-
![CAS 1192189-69-7 3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1192189-69-7.gif)
