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CAS 18464-25-0 N1,N5-Didodecyl-N1,N1,N5,N5-tetramethylpentane-1,5-diaminium bromide molecular structure lightbox
CAS RN: 18464-25-0

N1,N5-Didodecyl-N1,N1,N5,N5-tetramethylpentane-1,5-diaminium bromide

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 10g In stock Shenzhen Inquiry
Batchno.20250313 1g In stock Shanghai Inquiry
Batchno.20250106 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
Batchno.20260104 25g Out of stock Inquiry
Batchno.20250924 5g Out of stock Inquiry
  • Product code: SSC-085344
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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: ＞97%
  • 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 18464-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

18464-25-0 / dodecyl-[5-[dodecyl(dimethyl)azaniumyl]pentyl]-dimethylazanium dibromide

Standard CAS: 18464-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18464-25-0
Multi CAS
No
Molecular Formula
C33H72Br2N2
Molecular Weight
656.700000
Exact Mass
656.404180
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-]
InChI
InChI=1S/C33H72N2.2BrH/c1-7-9-11-13-15-17-19-21-23-26-30-34(3,4)32-28-25-29-33-35(5,6)31-27-24-22-20-18-16-14-12-10-8-2;;/h7-33H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
WBKKEPDHDRCIOA-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
1
Rotatable bonds
28
H-bond acceptors
2
Molar refractivity
161.22
TPSA
0.0000

LogP / Solubility

WLOGP
4.16
MLOGP
3.71
XLogP3
4.16
Consensus LogP
4.01
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.74
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)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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