CAS RN: 568565-86-6
4-(4-FLUOROPHENOXY)BENZYLAMINE HYDROCHLORIDE
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.20250620 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS568565-86-6
- Purity/Analytical Methods: >99.0%
568565-86-6 / [4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
Basic Information
CAS
568565-86-6
Multi CAS
Yes
Molecular Formula
C13H13CLFNO
Molecular Weight
253.700000
Exact Mass
253.066970
InChI
InChI=1S/C13H12FNO.ClH/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;/h1-8H,9,15H2;1H
InChIKey
FSCHAOUFEVMQOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.06
TPSA
35.25
LogP / Solubility
WLOGP
3.5
MLOGP
3.09
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-1.78
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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