CAS RN: 1146852-37-0
Pentanamide, 2-amino-5,5,5-trifluoro-,(2R)-
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.20260530 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1146852-37-0
- Purity/Analytical Methods: >99.0%
1146852-37-0 / (2R)-2-amino-5,5,5-trifluoropentanamide
2-amino-5,5,5-trifluoropentanamide | SCHEMBL1876375 | JNHJLLWYQJNHIR-UHFFFAOYSA-O
Basic Information
CAS
1146852-37-0
Multi CAS
Yes
Molecular Formula
C5H9F3N2O
Molecular Weight
170.130000
Exact Mass
170.066697
SMILES
C(CC(F)(F)F)[C@H](C(=O)N)N
InChI
InChI=1S/C5H9F3N2O/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H2,10,11)/t3-/m1/s1
InChIKey
JNHJLLWYQJNHIR-GSVOUGTGSA-N
Synonyms
2-amino-5,5,5-trifluoropentanamide
SCHEMBL1876375
JNHJLLWYQJNHIR-UHFFFAOYSA-O
2-amino-5,5,5-trifluoro-pentanamide
AKOS014322480
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.46
TPSA
69.11
LogP / Solubility
WLOGP
0.14
MLOGP
0.12
XLogP3
0.1
Consensus LogP
0.12
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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