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CAS 56307-84-7 Dimethyldodecyl(4-vinylbenzyl)aminium·chloride molecular structure lightbox
CAS RN: 56307-84-7

Dimethyldodecyl(4-vinylbenzyl)aminium·chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56307-84-7
  • Purity/Analytical Methods: >99.0%
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56307-84-7 / dodecyl-[(4-ethenylphenyl)methyl]-dimethylazanium chloride

Standard CAS: 56307-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56307-84-7
Multi CAS
No
Molecular Formula
C23H40CLN
Molecular Weight
366.000000
Exact Mass
365.284928
InChI
InChI=1S/C23H40N.ClH/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23;/h6,16-19H,2,5,7-15,20-21H2,1,3-4H3;1H/q+1;/p-1
InChIKey
UJAMSFSVSMVVCV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
109.06
TPSA
0.0000

LogP / Solubility

WLOGP
3.83
MLOGP
3.39
XLogP3
3.83
Consensus LogP
3.68
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.9
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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