CAS RN: 1179288-96-0
2-Ethoxy-6-fluoroaniline
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.20250124 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-017753
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
1179288-96-0 / 2-ethoxy-6-fluoroaniline
2-Ethoxy-6-fluoroaniline | MFCD12149624 | 2-ethoxy-6-fluoro-aniline
Basic Information
CAS
1179288-96-0
Multi CAS
No
Molecular Formula
C8H10FNO
Molecular Weight
155.170000
Exact Mass
155.074642
SMILES
CCOC1=C(C(=CC=C1)F)N
InChI
InChI=1S/C8H10FNO/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2,10H2,1H3
InChIKey
DOFCITUWGPPJMN-UHFFFAOYSA-N
Synonyms
2-Ethoxy-6-fluoroaniline
MFCD12149624
2-ethoxy-6-fluoro-aniline
2-Ethoxy-6-fluorobenzenamine
SCHEMBL17887304
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.98
TPSA
35.25
LogP / Solubility
WLOGP
1.81
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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