CAS RN: 2401-45-8
2-(4-Fluorophenoxy)-N,N-diMethylethanaMine
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.20250411 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2401-45-8
- Purity/Analytical Methods: >99.0%
2401-45-8 / 2-(4-fluorophenoxy)-N,N-dimethylethanamine
Basic Information
CAS
2401-45-8
Multi CAS
No
Molecular Formula
C10H14FNO
Molecular Weight
183.220000
Exact Mass
183.105942
SMILES
CN(C)CCOC1=CC=C(C=C1)F
InChI
InChI=1S/C10H14FNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey
KUNDZNSXYFPGGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
50.45
TPSA
12.47
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
2
Consensus LogP
1.77
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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