CAS RN: 949159-97-1
Ethanone,1-(2-amino-4-fluoro-5-methoxyphenyl)-
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.20260112 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS949159-97-1
- Purity/Analytical Methods: >99.0%
949159-97-1 / 1-(2-amino-4-fluoro-5-methoxyphenyl)ethanone
Basic Information
CAS
949159-97-1
Multi CAS
No
Molecular Formula
C9FH10NO2
Molecular Weight
183.180000
Exact Mass
183.069557
InChI
InChI=1S/C9H10FNO2/c1-5(12)6-3-9(13-2)7(10)4-8(6)11/h3-4H,11H2,1-2H3
InChIKey
YCMWQYFEHIFMAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.37
TPSA
52.32
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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