CAS RN: 2274-13-7
N,N-DI-N-BUTYLACRYLAMIDE
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.20260322 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2274-13-7
- Purity/Analytical Methods: >99.0%
2274-13-7 / N,N-dibutylprop-2-enamide
Basic Information
CAS
2274-13-7
Multi CAS
No
Molecular Formula
C11H21NO
Molecular Weight
183.290000
Exact Mass
183.162314
SMILES
CCCCN(CCCC)C(=O)C=C
InChI
InChI=1S/C11H21NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h6H,3-5,7-10H2,1-2H3
InChIKey
DLJMSHXCPBXOKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
56.59
TPSA
20.31
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.8
Consensus LogP
2.56
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly 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)
-1.99
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
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![CAS 22743-05-1 5-(1,3-Benzodioxol-5-yl)-9-hydroxyfuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22743-05-1.gif)
