CAS RN: 27064-89-7
1-(4-FLUORO-ALPHA-PHENYLBENZYL)PIPERAZINE
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.20250818 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS27064-89-7
- Purity/Analytical Methods: >99.0%
27064-89-7 / 1-[(4-fluorophenyl)-phenylmethyl]piperazine
Basic Information
CAS
27064-89-7
Multi CAS
No
Molecular Formula
C17H19FN2
Molecular Weight
270.340000
Exact Mass
270.153227
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKey
KKMSCNTZDCYNSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.13
TPSA
15.27
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.9
Consensus LogP
2.74
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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