CAS RN: 2707-62-2
N-Ethyl-3-fluoro-benzenaMine
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.20250829 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2707-62-2
- Purity/Analytical Methods: >99.0%
2707-62-2 / N-ethyl-3-fluoroaniline
Basic Information
CAS
2707-62-2
Multi CAS
No
Molecular Formula
C8H10FN
Molecular Weight
139.170000
Exact Mass
139.079727
SMILES
CCNC1=CC(=CC=C1)F
InChI
InChI=1S/C8H10FN/c1-2-10-8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKey
SBNPVCZGSKLRSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.56
TPSA
12.03
LogP / Solubility
WLOGP
2.26
MLOGP
1.98
XLogP3
2.4
Consensus LogP
2.21
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-1.97
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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