![CAS 852445-87-5 Chloro[1,3-bis(cyclohexyl)2H-imidazol-2-ylidene]gold(I) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852445-87-5.gif)
CAS RN: 852445-87-5
Chloro[1,3-bis(cyclohexyl)2H-imidazol-2-ylidene]gold(I)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260121 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS852445-87-5
- Purity/Analytical Methods: >99.0%
852445-87-5 / chloro-(1,3-dicyclohexylimidazol-2-ylidene)gold
Basic Information
CAS
852445-87-5
Multi CAS
No
Molecular Formula
C15H24AUCLN2
Molecular Weight
464.780000
Exact Mass
464.129372
InChI
InChI=1S/C15H24N2.Au.ClH/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;;/h11-12,14-15H,1-10H2;;1H/q;+1;/p-1
InChIKey
XNKJGRQZUVOXSZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.76
TPSA
9.86
LogP / Solubility
WLOGP
5.07
MLOGP
4.49
XLogP3
5.07
Consensus LogP
4.88
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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