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CAS 32765-81-4 1-BROMO-6-(TRIMETHYLAMMONIUM)HEXYL BROMIDE molecular structure lightbox
CAS RN: 32765-81-4

1-BROMO-6-(TRIMETHYLAMMONIUM)HEXYL BROMIDE

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 100g Out of stock Inquiry
Batchno.20251104 1kg Out of stock Inquiry
Batchno.20260402 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250612 500g Out of stock Inquiry
  • Product code: starshine_CAS32765-81-4
  • Purity/Analytical Methods: >99.0%
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32765-81-4 / 6-bromohexyl(trimethyl)azanium bromide

Standard CAS: 32765-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32765-81-4
Multi CAS
Yes
Molecular Formula
C9H21BR2N
Molecular Weight
303.080000
Exact Mass
303.002030
InChI
InChI=1S/C9H21BrN.BrH/c1-11(2,3)9-7-5-4-6-8-10;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKey
KNKBZYUINRTEOG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
55.16
TPSA
0.0000

LogP / Solubility

WLOGP
-0.35
MLOGP
-0.29
XLogP3
-0.35
Consensus LogP
-0.33
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-4.82

Drug-likeness / Medicinal Chemistry

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

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