CAS RN: 2459439-16-6
(S)-1-(4-Ethylphenyl)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.20250302 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2459439-16-6
- Purity/Analytical Methods: >99.0%
2459439-16-6 / 1-(4-ethylphenyl)ethanamine;hydrochloride
Basic Information
CAS
2459439-16-6
Multi CAS
No
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CCC1=CC=C(C=C1)C(C)N.Cl
InChI
InChI=1S/C10H15N.ClH/c1-3-9-4-6-10(7-5-9)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1
InChIKey
VVCCRPRAEAGOHX-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.67
TPSA
26.02
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.69
Consensus LogP
2.58
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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