CAS RN: 2007925-25-7
2-(4-Acetyl-2-fluorophenyl)acetic acid
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.20250416 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA900423
2007925-25-7 / 2-(4-acetyl-2-fluorophenyl)acetic acid
Basic Information
CAS
2007925-25-7
Multi CAS
No
Molecular Formula
C10H9FO3
Molecular Weight
196.170000
Exact Mass
196.053572
SMILES
CC(=O)C1=CC(=C(C=C1)CC(=O)O)F
InChI
InChI=1S/C10H9FO3/c1-6(12)7-2-3-8(5-10(13)14)9(11)4-7/h2-4H,5H2,1H3,(H,13,14)
InChIKey
FMNVEGKVIJEIHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.74
TPSA
54.37
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.2
Consensus LogP
1.44
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.74
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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