CAS RN: 1708924-46-2
N,N-Dimethyl-2-(3,4,5-trifluorophenoxy)ethanamine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250419 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1708924-46-2
- Purity/Analytical Methods: >99.0%
1708924-46-2 / N,N-dimethyl-2-(3,4,5-trifluorophenoxy)ethanamine
Basic Information
CAS
1708924-46-2
Multi CAS
No
Molecular Formula
C10H12F3NO
Molecular Weight
219.200000
Exact Mass
219.087098
SMILES
CN(C)CCOC1=CC(=C(C(=C1)F)F)F
InChI
InChI=1S/C10H12F3NO/c1-14(2)3-4-15-7-5-8(11)10(13)9(12)6-7/h5-6H,3-4H2,1-2H3
InChIKey
ZQDJMCVRMLEGFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
50.37
TPSA
12.47
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2.2
Consensus LogP
2.01
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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