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CAS 7009-61-2 dodecyl(2-hydroxyethyl)dimethylammonium bromide molecular structure lightbox
CAS RN: 7009-61-2

dodecyl(2-hydroxyethyl)dimethylammonium bromide

  • Product code: SSC-179878
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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: 1g
  • 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 7009-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

7009-61-2 / dodecyl-(2-hydroxyethyl)-dimethylazanium bromide

Standard CAS: 7009-61-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7009-61-2
Multi CAS
Yes
Molecular Formula
BC16H36ORn
Molecular Weight
338.370000
Exact Mass
337.198030
InChI
InChI=1S/C16H36NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18;/h18H,4-16H2,1-3H3;1H/q+1;/p-1
InChIKey
QBQLPWLODYZCLE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
80.77
TPSA
20.23

LogP / Solubility

WLOGP
0.98
MLOGP
0.88
XLogP3
0.98
Consensus LogP
0.95
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-4.09

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

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