CAS RN: 416862-39-0
3-fluoro-N-(furan-2-ylmethyl)aniline
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.20250705 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS416862-39-0
- Purity/Analytical Methods: >99.0%
416862-39-0 / 3-fluoro-N-(furan-2-ylmethyl)aniline
Basic Information
CAS
416862-39-0
Multi CAS
No
Molecular Formula
C11FH10NO
Molecular Weight
191.200000
Exact Mass
191.074642
InChI
InChI=1S/C11H10FNO/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h1-7,13H,8H2
InChIKey
JEBSIDAHOLYUIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.43
TPSA
25.17
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
2.6
Consensus LogP
2.77
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
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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