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CAS 15802-00-3 Tetrabutylammonium Dibromoiodide molecular structure lightbox
CAS RN: 15802-00-3

Tetrabutylammonium Dibromoiodide

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 10g In stock Shenzhen, Tianjin Inquiry
Batchno.20260428 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250322 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTT1269
  • Purity/Analytical Methods: >97.0%(T)
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15802-00-3 / Tetrabutylammonium Dibromoiodide

Standard CAS: 15802-00-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15802-00-3
Multi CAS
No
Molecular Formula
C16H36Br2IN
Molecular Weight
529.200000
Exact Mass
529.023870
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.Br[I-]Br
InChI
InChI=1S/C16H36N.Br2I/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1
InChIKey
LFZGDXLUTJIZAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
97.21
TPSA
0.0000

LogP / Solubility

WLOGP
3.7
MLOGP
3.29
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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