CAS RN: 2044704-44-9
N,N-Dimethyl-2-(perfluorophenoxy)ethanamine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 50g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2044704-44-9
- Purity/Analytical Methods: >99.0%
2044704-44-9 / N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
Basic Information
CAS
2044704-44-9
Multi CAS
No
Molecular Formula
C10H10F5NO
Molecular Weight
255.180000
Exact Mass
255.068255
SMILES
CN(C)CCOC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C10H10F5NO/c1-16(2)3-4-17-10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3
InChIKey
ZBONATRDQBOWML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
50.28
TPSA
12.47
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
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
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