CAS RN: 16423-51-1
N,N-DI-N-HEXYLACETAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16423-51-1
- Purity/Analytical Methods: >99.0%
16423-51-1 / N,N-dihexylacetamide
Basic Information
CAS
16423-51-1
Multi CAS
No
Molecular Formula
C14H29NO
Molecular Weight
227.390000
Exact Mass
227.224915
SMILES
CCCCCCN(CCCCCC)C(=O)C
InChI
InChI=1S/C14H29NO/c1-4-6-8-10-12-15(14(3)16)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKey
JFUCOPIALLYRGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
70.54
TPSA
20.31
LogP / Solubility
WLOGP
4
MLOGP
3.52
XLogP3
4.4
Consensus LogP
3.97
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501
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