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CAS 120307-06-4 tetrabutylammonium butyltriphenylborate molecular structure lightbox
CAS RN: 120307-06-4

tetrabutylammonium butyltriphenylborate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-021171
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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: 5g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120307-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

120307-06-4 / butyl(triphenyl)boranuide;tetrabutylazanium

tetrabutylammonium butyltriphenylborate | RefChem:188406 | EC 418-080-4

Standard CAS: 120307-06-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120307-06-4
Multi CAS
No
Molecular Formula
C38H60BN
Molecular Weight
541.700000
Exact Mass
541.481881
SMILES
[B-](CCCC)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCC[N+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C22H24B.C16H36N/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h4-18H,2-3,19H2,1H3;5-16H2,1-4H3/q-1;+1
InChIKey
CEZMKTBVLJODAE-UHFFFAOYSA-N
Synonyms
tetrabutylammonium butyltriphenylborate RefChem:188406 EC 418-080-4 418-080-4 butyl(triphenyl)boranuide;tetrabutylazanium

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.53
Rotatable bonds
18
H-bond acceptors
1
Molar refractivity
183.06
TPSA
0.0000

LogP / Solubility

WLOGP
8.96
MLOGP
7.93
XLogP3
8.96
Consensus LogP
8.62
Log S (ESOL)
-7.99
Class (ESOL)
Insoluble
Log S (Ali)
-10.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.34

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501

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