CAS RN: 137581-18-1
1,3-Diisopropylimidazolinium Tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-047309
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 |
137581-18-1 / 1,3-di(propan-2-yl)imidazolidin-1-ium tetrafluoroborate
Basic Information
CAS
137581-18-1
Multi CAS
No
Molecular Formula
C9H21BF4N2
Molecular Weight
244.080000
Exact Mass
244.173392
SMILES
[B-](F)(F)(F)F.CC(C)[NH+]1CCN(C1)C(C)C
InChI
InChI=1S/C9H20N2.BF4/c1-8(2)10-5-6-11(7-10)9(3)4;2-1(3,4)5/h8-9H,5-7H2,1-4H3;/q;-1/p+1
InChIKey
QOFLMGQQJAIALX-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.86
TPSA
7.68
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1,3-Di(1-adamantyl)imidazolinium Tetrafluoroborate
- CAS RN: 1176202-63-3
- Product Code: ICTD3620
- Purity/Analytical method: >98.0%(HPLC)
-
-
2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride
- CAS RN: 1141464-90-5
- Product Code: SSC-014015
-
1,3-Dicyclohexylimidazolium Tetrafluoroborate
- CAS RN: 286014-38-8
- Product Code: SSC-130071
-
1,3-Diisopropylimidazolium Hydrogencarbonate (contains varying amounts of 1,3-Diisopropylimidazolium-2-carboxylate)
- CAS RN: 1372124-90-7
- Product Code: ICTD5498
-
![CAS 1141464-90-5 2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5596-jpgcontextbwfzdgvyfhjvb3r8nda0odz8aw1hz2uvanblz3xomwqvadqwlzg5mza0nduznjexodivrdu1otyuanbnfgizmjyyzdq4nte5ntzknwqzodi2yjm3nwrkmwu3mdexzddmmdvjyjy1oduxnzlmyje5ntm0zti3nty1zjc0mme.jpeg)
