CAS RN: 518357-40-9
C-(4′-FLUORO-BIPHENYL-4-YL)-METHYLAMINE 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.20250122 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS518357-40-9
- Purity/Analytical Methods: >99.0%
518357-40-9 / [4-(4-fluorophenyl)phenyl]methanamine;hydrochloride
Basic Information
CAS
518357-40-9
Multi CAS
Yes
Molecular Formula
C13H13CLFN
Molecular Weight
237.700000
Exact Mass
237.072055
InChI
InChI=1S/C13H12FN.ClH/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11;/h1-8H,9,15H2;1H
InChIKey
IZUWYHXAARRMGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.98
TPSA
26.02
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.37
Consensus LogP
3.24
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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
No
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
No
Synthetic Accessibility
1.5
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