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CAS 1033461-44-7 1-butyl-3-vinyliMidazoliuM tetrafluoroborate molecular structure lightbox
CAS RN: 1033461-44-7

1-butyl-3-vinyliMidazoliuM tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260113 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250415 500g In stock Shandong Inquiry
Batchno.20250904 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS1033461-44-7
  • Purity/Analytical Methods: >99.0%
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1033461-44-7 / 1-butyl-3-ethenylimidazol-1-ium tetrafluoroborate

1-butyl-3-vinylimidazolium tetrafluoroborate | 1-Butyl-3-vinyl-1H-imidazol-3-ium tetrafluoroborate | SCHEMBL3795277

Standard CAS: 1033461-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033461-44-7
Multi CAS
No
Molecular Formula
C9H15BF4N2
Molecular Weight
238.040000
Exact Mass
238.126441
SMILES
[B-](F)(F)(F)F.CCCC[N+]1=CN(C=C1)C=C
InChI
InChI=1S/C9H15N2.BF4/c1-3-5-6-11-8-7-10(4-2)9-11;2-1(3,4)5/h4,7-9H,2-3,5-6H2,1H3;/q+1;-1
InChIKey
YXWSAHGXCSNDIC-UHFFFAOYSA-N
Synonyms
1-butyl-3-vinylimidazolium tetrafluoroborate 1-Butyl-3-vinyl-1H-imidazol-3-ium tetrafluoroborate SCHEMBL3795277 SCHEMBL3795281 AS-85086

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
56.11
TPSA
8.81

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.98
Consensus LogP
2.86
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.06

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
1.5

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