CAS RN: 896733-61-2
1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene(acetonitrile)gold(I) tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250302 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250730 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260504 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251028 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260329 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS896733-61-2
- Purity/Analytical Methods: >99.0%
896733-61-2 / 1,3-di(propan-2-yl)benzene-2-ide;(2E)-2-[3-[2,6-di(propan-2-yl)phenyl]-1H-imidazol-2-ylidene]acetonitrile;gold(1+);tetrafluoroborate
Basic Information
CAS
896733-61-2
Multi CAS
Yes
Molecular Formula
AuBC29F4H38N3
Molecular Weight
712.400000
Exact Mass
712.276061
InChI
InChI=1S/C17H21N3.C12H17.Au.BF4/c1-12(2)14-6-5-7-15(13(3)4)17(14)20-11-10-19-16(20)8-9-18;1-9(2)11-6-5-7-12(8-11)10(3)4;;2-1(3,4)5/h5-8,10-13,19H,1-4H3;5-7,9-10H,1-4H3;;/q;-1;+1;-1
InChIKey
SUYOETKSMAJMIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
146.71
TPSA
39.06
LogP / Solubility
WLOGP
9.21
MLOGP
8.17
XLogP3
9.21
Consensus LogP
8.86
Log S (ESOL)
-9.96
Class (ESOL)
Insoluble
Log S (Ali)
-12.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.54
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)
-0.53
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
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