CAS RN: 850421-15-7
2-(4-METHYLPHENOXY)ETHANAMINE
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.20250612 | 100mg / 250mg / 1g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS850421-15-7
- Purity/Analytical Methods: >99.0%
850421-15-7 / 2-(4-methylphenoxy)ethanamine;hydrochloride
Basic Information
CAS
850421-15-7
Multi CAS
No
Molecular Formula
C9H14CLNO
Molecular Weight
187.660000
Exact Mass
187.076392
InChI
InChI=1S/C9H13NO.ClH/c1-8-2-4-9(5-3-8)11-7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKey
AGYSILLANCXWQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.98
TPSA
35.25
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.75
Consensus LogP
1.68
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 850429-52-6 4-BROMO-N-[2-(TBDMSO)ETHYL]BENZENESULFONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/850429-52-6.gif)
