CAS RN: 244187-81-3
1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250703 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251223 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250128 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251018 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20251219 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260105 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-118827
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
244187-81-3 / 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide
Basic Information
CAS
244187-81-3
Multi CAS
No
Molecular Formula
C27H36N2
Molecular Weight
388.600000
Exact Mass
388.287849
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H36N2/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
InChIKey
VYCIHDBIKGRENI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
122.49
TPSA
8.81
LogP / Solubility
WLOGP
7.05
MLOGP
6.22
XLogP3
8
Consensus LogP
7.09
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-7.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 889617-36-1 3,3′-Methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium Bromide] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2791-jpgcontextbwfzdgvyfhjvb3r8mzgwmdb8aw1hz2uvanblz3xozjkvadg2lzg5mze2mdiymdi2ntqvtti3oteuanbnfdeyntzinjniote5mze2yzqwzwzlmgrlotq1ywrjnjjlmta5ntnhognjzjfmodm2odiyyza3nzjkmtc2owyxy2m.jpeg)
