![CAS 96605-66-2 N-[3-[3-(Dimethylamino)acryloyl]phenyl]-N-ethylacetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4259-jpgcontextbwfzdgvyfhjvb3r8mze1mjh8aw1hz2uvanblz3xonjkvagzmlzg5mzayodexmjc5njyvrdqyntkuanbnfgewmjjmnji2nzljywu5odu0yweymwu2mjhimzkyowmxzdcwmzk3ywm3nzmymmnintdjmjvimwzlzwvlmzu4n2i.jpeg)
CAS RN: 96605-66-2
N-[3-[3-(Dimethylamino)acryloyl]phenyl]-N-ethylacetamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260114 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: ICTD4259
- Purity/Analytical Methods: >98.0%(GC)(T)
96605-66-2 / N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide
Basic Information
CAS
96605-66-2
Multi CAS
Yes
Molecular Formula
C15H20N2O2
Molecular Weight
260.330000
Exact Mass
260.152478
InChI
InChI=1S/C15H20N2O2/c1-5-17(12(2)18)14-8-6-7-13(11-14)15(19)9-10-16(3)4/h6-11H,5H2,1-4H3/b10-9+
InChIKey
UXWJJVRASIHSQS-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
77.3
TPSA
40.62
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.02
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
