CAS RN: 7116-37-2
3-(3-FLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER
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.20251109 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7116-37-2
- Purity/Analytical Methods: >99.0%
7116-37-2 / ethyl 3-(3-fluorophenyl)propanoate
Basic Information
CAS
7116-37-2
Multi CAS
No
Molecular Formula
C11FH13O2
Molecular Weight
196.220000
Exact Mass
196.089958
InChI
InChI=1S/C11H13FO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3
InChIKey
AZTQCQMIUZVAGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
51.35
TPSA
26.3
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
2.8
Consensus LogP
2.39
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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)
-2.27
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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