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CAS 77794-93-5 BENZYLTRIETHYLAMMONIUM TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 77794-93-5

BENZYLTRIETHYLAMMONIUM TETRAFLUOROBORATE

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250718 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250108 500g Out of stock Inquiry
Batchno.20260520 5g Out of stock Inquiry
  • Product code: starshine_CAS77794-93-5
  • Purity/Analytical Methods: >99.0%
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77794-93-5 / benzyl(triethyl)azanium tetrafluoroborate

Standard CAS: 77794-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77794-93-5
Multi CAS
No
Molecular Formula
BC13F4H22N
Molecular Weight
279.130000
Exact Mass
279.178143
InChI
InChI=1S/C13H22N.BF4/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2-1(3,4)5/h7-11H,4-6,12H2,1-3H3;/q+1;-1
InChIKey
KJWXXJMAQURGGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
72.22
TPSA
0.0000

LogP / Solubility

WLOGP
4.36
MLOGP
3.85
XLogP3
4.36
Consensus LogP
4.19
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

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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