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CAS 4292-25-5 Behenyl Trimethyl Ammonium Chloride molecular structure lightbox
CAS RN: 4292-25-5

Behenyl Trimethyl Ammonium Chloride

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 1g In stock Shanghai Inquiry
Batchno.20250120 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260403 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251110 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS4292-25-5
  • Purity/Analytical Methods: >99.0%
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4292-25-5 / trimethyl(octadecyl)azanium iodide

Standard CAS: 4292-25-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4292-25-5
Multi CAS
Yes
Molecular Formula
C21H46In
Molecular Weight
439.500000
Exact Mass
439.267500
InChI
InChI=1S/C21H46N.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
InChIKey
HIACZXUUKNSHAN-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
1
Molar refractivity
102.45
TPSA
0.0000

LogP / Solubility

WLOGP
3.96
MLOGP
3.51
XLogP3
3.96
Consensus LogP
3.81
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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