![CAS 1089279-63-9 4-[4-[4-(2-氟乙基)-1-哌嗪基]-1-哌啶基]-2-(甲氧基)苯胺 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1089279-63-9.gif)
CAS RN: 1089279-63-9
4-[4-[4-(2-氟乙基)-1-哌嗪基]-1-哌啶基]-2-(甲氧基)苯胺
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250617 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1089279-63-9
- Purity/Analytical Methods: >99.0%
1089279-63-9 / 4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
4-[4-[4-(2-Fluoroethyl)-1-piperazinyl]-1-piperidinyl]-2-(methyloxy)aniline | 4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline | 4-(4-(4-(2-Fluoroethyl)piperazin-1-yl)piperidin-1-yl)-2-methoxyaniline
Basic Information
CAS
1089279-63-9
Multi CAS
No
Molecular Formula
C18H29FN4O
Molecular Weight
336.400000
Exact Mass
336.232540
SMILES
COC1=C(C=CC(=C1)N2CCC(CC2)N3CCN(CC3)CCF)N
InChI
InChI=1S/C18H29FN4O/c1-24-18-14-16(2-3-17(18)20)22-7-4-15(5-8-22)23-12-10-21(9-6-19)11-13-23/h2-3,14-15H,4-13,20H2,1H3
InChIKey
HXJLMYXPDIHNFA-UHFFFAOYSA-N
Synonyms
4-[4-[4-(2-Fluoroethyl)-1-piperazinyl]-1-piperidinyl]-2-(methyloxy)aniline
4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
4-(4-(4-(2-Fluoroethyl)piperazin-1-yl)piperidin-1-yl)-2-methoxyaniline
4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)aniline
SCHEMBL311282
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.63
TPSA
44.97
LogP / Solubility
WLOGP
1.83
MLOGP
1.63
XLogP3
2.1
Consensus LogP
1.85
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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