![CAS 915395-52-7 Copper, [1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene]chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915395-52-7.gif)
CAS RN: 915395-52-7
Copper, [1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene]chloro-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-204774
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
915395-52-7 / Copper, [1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene]chloro-
Basic Information
CAS
915395-52-7
Multi CAS
No
Molecular Formula
C27H39CLCUN2
Molecular Weight
490.600000
Exact Mass
489.209774
InChI
InChI=1S/C27H39N2.ClH.Cu/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;;/h9-14,17-21H,15-16H2,1-8H3;1H;/q;;+1/p-1
InChIKey
LAZGQVQXDQRZJU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
128.23
TPSA
6.48
LogP / Solubility
WLOGP
4.63
MLOGP
4.11
XLogP3
4.63
Consensus LogP
4.46
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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