CAS RN: 1708924-47-3
2-(3,4-Difluorophenoxy)-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.20250222 | 25mg / 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1708924-47-3
- Purity/Analytical Methods: >99.0%
1708924-47-3 / 2-(3,4-difluorophenoxy)-N,N-dimethylethanamine
Basic Information
CAS
1708924-47-3
Multi CAS
No
Molecular Formula
C10H13F2NO
Molecular Weight
201.210000
Exact Mass
201.096520
SMILES
CN(C)CCOC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C10H13F2NO/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKey
WSMIXUUFZKZBCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
50.41
TPSA
12.47
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
2.3
Consensus LogP
1.96
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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