![CAS 380469-52-3 N-[2-(4-fluorophenyl)ethyl]-2-furamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/380469-52-3.gif)
CAS RN: 380469-52-3
N-[2-(4-fluorophenyl)ethyl]-2-furamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 1mg / 5mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS380469-52-3
- Purity/Analytical Methods: >99.0%
380469-52-3 / N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
Basic Information
CAS
380469-52-3
Multi CAS
No
Molecular Formula
C13FH12NO2
Molecular Weight
233.240000
Exact Mass
233.085207
InChI
InChI=1S/C13H12FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
InChIKey
GSMVTQDRELNXRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.15
TPSA
42.24
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.3
Consensus LogP
2.27
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
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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