CAS RN: 1211473-33-4
(1R)-1-(4-fluoronaphthalen-1-yl)ethanamine 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.20250222 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1211473-33-4
- Purity/Analytical Methods: >99.0%
1211473-33-4 / 1-(4-fluoronaphthalen-1-yl)ethanamine;hydrochloride
(R)-1-(4-Fluoronaphthalen-1-yl)ethan-1-amine hydrochloride | MFCD29085634 | (R)-1-(4-fluoronaphthalen-1-yl)ethanamine hydrochloride
Basic Information
CAS
1211473-33-4
Multi CAS
Yes
Molecular Formula
C12H13ClFN
Molecular Weight
225.690000
Exact Mass
225.072055
SMILES
CC(C1=CC=C(C2=CC=CC=C21)F)N.Cl
InChI
InChI=1S/C12H12FN.ClH/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11;/h2-8H,14H2,1H3;1H
InChIKey
LYZHOJLKGIDNHA-UHFFFAOYSA-N
Synonyms
(R)-1-(4-Fluoronaphthalen-1-yl)ethan-1-amine hydrochloride
MFCD29085634
(R)-1-(4-fluoronaphthalen-1-yl)ethanamine hydrochloride
C12H13ClFN
SCHEMBL2149832
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.76
TPSA
26.02
LogP / Solubility
WLOGP
3.42
MLOGP
3.01
XLogP3
3.42
Consensus LogP
3.28
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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