![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)
CAS RN: 889617-36-1
3,3′-Methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium Bromide]
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-200665
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
889617-36-1 / 1-[2,6-di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium dibromide
Basic Information
CAS
889617-36-1
Multi CAS
Yes
Molecular Formula
C31H42BR2N4
Molecular Weight
630.500000
Exact Mass
630.175570
InChI
InChI=1S/C31H42N4.2BrH/c1-22(2)26-11-9-12-27(23(3)4)30(26)34-17-15-32(20-34)19-33-16-18-35(21-33)31-28(24(5)6)13-10-14-29(31)25(7)8;;/h9-18,20-25H,19H2,1-8H3;2*1H/q+2;;/p-2
InChIKey
ZZGWEIDPDBDPOH-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
22
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
143.68
TPSA
17.62
LogP / Solubility
WLOGP
0.85
MLOGP
0.8
XLogP3
0.85
Consensus LogP
0.83
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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