![CAS 613686-48-9 1,3-Bis[(1S)-1-phenylethyl]-1H-imidazolium Tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/613686-48-9.gif)
CAS RN: 613686-48-9
1,3-Bis[(1S)-1-phenylethyl]-1H-imidazolium Tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251207 | 100mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry | |
| Batchno.20250331 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251129 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251117 | 250mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20260610 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS613686-48-9
- Purity/Analytical Methods: >99.0%
613686-48-9 / 1,3-bis[(1S)-1-phenylethyl]imidazol-1-ium tetrafluoroborate
Basic Information
CAS
613686-48-9
Multi CAS
Yes
Molecular Formula
BC19F4H21N2
Molecular Weight
364.200000
Exact Mass
364.173392
InChI
InChI=1S/C19H21N2.BF4/c1-16(18-9-5-3-6-10-18)20-13-14-21(15-20)17(2)19-11-7-4-8-12-19;2-1(3,4)5/h3-17H,1-2H3;/q+1;-1/t16-,17-;/m0./s1
InChIKey
OCNADXKOLPPVOF-QJHJCNPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
95.32
TPSA
8.81
LogP / Solubility
WLOGP
5.29
MLOGP
4.68
XLogP3
5.29
Consensus LogP
5.09
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
benzyl (2S)-2-methyl-3-oxoazetidine-1-carboxylate
- CAS RN: 613688-34-9
- Product Code: SSC-170229
-
AM4113
- CAS RN: 614726-85-1
- Product Code: starshine_CAS614726-85-1
- Purity/Analytical method: >99.0%
-
-
-
TERT-BUTYL 4-CYANO-4-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE
- CAS RN: 614730-96-0
- Product Code: SSC-170361
-
