![CAS 1247619-84-6 [3-Fluoro-4-(oxan-4-yloxy)phenyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1247619-84-6.gif)
CAS RN: 1247619-84-6
[3-Fluoro-4-(oxan-4-yloxy)phenyl]methanamine
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.20260304 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-028952
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 | Shanghai | Inquiry |
1247619-84-6 / [3-fluoro-4-(oxan-4-yloxy)phenyl]methanamine
Basic Information
CAS
1247619-84-6
Multi CAS
No
Molecular Formula
C12H16FNO2
Molecular Weight
225.260000
Exact Mass
225.116507
SMILES
C1COCCC1OC2=C(C=C(C=C2)CN)F
InChI
InChI=1S/C12H16FNO2/c13-11-7-9(8-14)1-2-12(11)16-10-3-5-15-6-4-10/h1-2,7,10H,3-6,8,14H2
InChIKey
YTPSDLFLZSZDQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.76
TPSA
44.48
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.79
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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