![CAS 160502-09-0 tert-Butyl [2-[(trifluoroacetyl)amino]ethyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160502-09-0.gif)
CAS RN: 160502-09-0
tert-Butyl [2-[(trifluoroacetyl)amino]ethyl]carbamate
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.20250129 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS160502-09-0
- Purity/Analytical Methods: >99.0%
160502-09-0 / tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
Basic Information
CAS
160502-09-0
Multi CAS
No
Molecular Formula
C9H15F3N2O3
Molecular Weight
256.220000
Exact Mass
256.103477
SMILES
CC(C)(C)OC(=O)NCCNC(=O)C(F)(F)F
InChI
InChI=1S/C9H15F3N2O3/c1-8(2,3)17-7(16)14-5-4-13-6(15)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKey
LRIIKOSSPGMOTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.3
TPSA
67.43
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.21
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-3.44
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
Customers Also Viewed
-
Dihydroxyalnusone
- CAS RN: 160507-18-6
- Product Code: starshine_CAS160507-18-6
- Purity/Analytical method: >99.0%
-
2′-[(1H-Tetrazol-5-yl)biphenyl-4-yl]Methanol
- CAS RN: 160514-13-6
- Product Code: SSC-068434
-
-
-
4-amino-1-((2R,3R,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one
- CAS RN: 160552-54-5
- Product Code: starshine_CAS160552-54-5
- Purity/Analytical method: >99.0%
-
1H-Pyrrole-2-carboxylicacid,3,4-difluoro-(9CI)
- CAS RN: 160561-81-9
- Product Code: SSC-068462
![CAS 160514-13-6 2′-[(1H-Tetrazol-5-yl)biphenyl-4-yl]Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160514-13-6.gif)
