CAS RN: 501126-38-1
4-(4-BOC-PIPERAZINO-1-YL)-3-FLUOROPHENOL
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.20260520 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS501126-38-1
- Purity/Analytical Methods: >99.0%
501126-38-1 / tert-butyl 4-(2-fluoro-4-hydroxyphenyl)piperazine-1-carboxylate
Basic Information
CAS
501126-38-1
Multi CAS
No
Molecular Formula
C15FH21N2O3
Molecular Weight
296.340000
Exact Mass
296.153621
InChI
InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-5-4-11(19)10-12(13)16/h4-5,10,19H,6-9H2,1-3H3
InChIKey
UDOCGQWNCVEJNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.08
TPSA
53.01
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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