![CAS 1346597-60-1 2-[2-Fluoro-4-(4-Methylpiperazino)phenyl]-1,3-dioxolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346597-60-1.gif)
CAS RN: 1346597-60-1
2-[2-Fluoro-4-(4-Methylpiperazino)phenyl]-1,3-dioxolane
- Product code: SSC-042547
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1346597-60-1 / 1-[4-(1,3-dioxolan-2-yl)-3-fluorophenyl]-4-methylpiperazine
Basic Information
CAS
1346597-60-1
Multi CAS
No
Molecular Formula
C14H19FN2O2
Molecular Weight
266.310000
Exact Mass
266.143056
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)C3OCCO3)F
InChI
InChI=1S/C14H19FN2O2/c1-16-4-6-17(7-5-16)11-2-3-12(13(15)10-11)14-18-8-9-19-14/h2-3,10,14H,4-9H2,1H3
InChIKey
SQBLLWYOZCZGHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
70.76
TPSA
24.94
LogP / Solubility
WLOGP
1.62
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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