CAS RN: 917604-39-8
1,3-Bis(2,6-diisopropylphenyl)imidazolium-2-carboxylate
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-205187
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 | Hong Kong | Inquiry |
917604-39-8 / 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate
Basic Information
CAS
917604-39-8
Multi CAS
No
Molecular Formula
C28H36N2O2
Molecular Weight
432.600000
Exact Mass
432.277678
InChI
InChI=1S/C28H36N2O2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28(31)32)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3
InChIKey
YJFHWSQOLOIECF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
127.99
TPSA
48.94
LogP / Solubility
WLOGP
5.61
MLOGP
4.97
XLogP3
8.5
Consensus LogP
6.36
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.97
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)
-1.38
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
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)
