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CAS 18507-15-8 N1,N6-Didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide molecular structure lightbox
CAS RN: 18507-15-8

N1,N6-Didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250115 1g In stock Shanghai Inquiry
Batchno.20250805 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250327 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20251215 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS18507-15-8
  • Purity/Analytical Methods: >99.0%
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18507-15-8 / dodecyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide

Standard CAS: 18507-15-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18507-15-8
Multi CAS
No
Molecular Formula
C34H74Br2N2
Molecular Weight
670.800000
Exact Mass
670.419830
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-]
InChI
InChI=1S/C34H74N2.2BrH/c1-7-9-11-13-15-17-19-21-23-27-31-35(3,4)33-29-25-26-30-34-36(5,6)32-28-24-22-20-18-16-14-12-10-8-2;;/h7-34H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
ZXVGCUMZUVQCMK-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
1
Rotatable bonds
29
H-bond acceptors
2
Molar refractivity
165.84
TPSA
0.0000

LogP / Solubility

WLOGP
4.55
MLOGP
4.06
XLogP3
4.55
Consensus LogP
4.39
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.28
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)
-3.58

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501

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