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CAS 5137-56-4 1-Decanaminium, N,N-didecyl-N-methyl-, chloride molecular structure lightbox
CAS RN: 5137-56-4

1-Decanaminium, N,N-didecyl-N-methyl-, chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5137-56-4
  • Purity/Analytical Methods: >99.0%
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5137-56-4 / tris-decyl(methyl)azanium chloride

Standard CAS: 5137-56-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5137-56-4
Multi CAS
Yes
Molecular Formula
C31H66CLN
Molecular Weight
488.300000
Exact Mass
487.488379
InChI
InChI=1S/C31H66N.ClH/c1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;/h5-31H2,1-4H3;1H/q+1;/p-1
InChIKey
UMMDBKGUDMBUSR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
27
H-bond acceptors
1
Molar refractivity
148.62
TPSA
0.0000

LogP / Solubility

WLOGP
7.86
MLOGP
6.95
XLogP3
7.86
Consensus LogP
7.56
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-9.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.12

Drug-likeness / Medicinal Chemistry

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

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