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CAS 146985-22-0 2-Ethyl-N,N-dihexylhexanamide molecular structure lightbox
CAS RN: 146985-22-0

2-Ethyl-N,N-dihexylhexanamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS146985-22-0
  • Purity/Analytical Methods: >99.0%
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146985-22-0 / 2-ethyl-N,N-dihexylhexanamide

Standard CAS: 146985-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146985-22-0
Multi CAS
No
Molecular Formula
C20H41NO
Molecular Weight
311.500000
Exact Mass
311.318815
SMILES
CCCCCCN(CCCCCC)C(=O)C(CC)CCCC
InChI
InChI=1S/C20H41NO/c1-5-9-12-14-17-21(18-15-13-10-6-2)20(22)19(8-4)16-11-7-3/h19H,5-18H2,1-4H3
InChIKey
MXTKEKIWJNKZOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
98.17
TPSA
20.31

LogP / Solubility

WLOGP
6.19
MLOGP
5.46
XLogP3
7.2
Consensus LogP
6.28
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.22

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
3

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