![CAS 1095393-66-0 2-PropenaMide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-[3-(trifluoroMethyl)phenyl]-, (2E)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095393-66-0.gif)
CAS RN: 1095393-66-0
2-PropenaMide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-[3-(trifluoroMethyl)phenyl]-, (2E)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1095393-66-0
- Purity/Analytical Methods: >99.0%
1095393-66-0 / (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
(R,E)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)acrylamide | 2-Propenamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-, (2E)- | (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Basic Information
CAS
1095393-66-0
Multi CAS
Yes
Molecular Formula
C22H18F3NO
Molecular Weight
369.400000
Exact Mass
369.134049
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C22H18F3NO/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)26-21(27)13-12-16-6-4-9-18(14-16)22(23,24)25/h2-15H,1H3,(H,26,27)/b13-12+/t15-/m1/s1
InChIKey
VBPYIHPPRFXGAK-RDRICISKSA-N
Synonyms
(R,E)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)acrylamide
2-Propenamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-, (2E)-
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
C22H18F3NO
SCHEMBL1329587
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
100.98
TPSA
29.1
LogP / Solubility
WLOGP
5.75
MLOGP
5.08
XLogP3
5.7
Consensus LogP
5.51
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.89
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
3
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