CAS RN: 10124-68-2
N-octylacrylamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260428 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS10124-68-2
- Purity/Analytical Methods: >99.0%
10124-68-2 / N-octylprop-2-enamide
N-Octylacrylamide | 2-Propenamide, N-octyl- | N-Octyl-2-propenamide
Basic Information
CAS
10124-68-2
Multi CAS
Yes
Molecular Formula
C11H21NO
Molecular Weight
183.290000
Exact Mass
183.162314
SMILES
CCCCCCCCNC(=O)C=C
InChI
InChI=1S/C11H21NO/c1-3-5-6-7-8-9-10-12-11(13)4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKey
AWGZKFQMWZYCHF-UHFFFAOYSA-N
Synonyms
N-Octylacrylamide
2-Propenamide, N-octyl-
N-Octyl-2-propenamide
EINECS 233-345-2
DTXSID6064955
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.73
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.58
TPSA
29.1
LogP / Solubility
WLOGP
2.65
MLOGP
2.33
XLogP3
3.5
Consensus LogP
2.83
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 73 of 73 companies. For more detailed information, please visit ECHA C&L website.
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