CAS RN: 390815-41-5
(R)-1-(3,4-Dimethoxyphenyl)ethanamine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260319 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS390815-41-5
- Purity/Analytical Methods: >99.0%
390815-41-5 / 1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
Basic Information
CAS
390815-41-5
Multi CAS
Yes
Molecular Formula
C10H16CLNO2
Molecular Weight
217.690000
Exact Mass
217.086956
InChI
InChI=1S/C10H15NO2.ClH/c1-7(11)8-4-5-9(12-2)10(6-8)13-3;/h4-7H,11H2,1-3H3;1H
InChIKey
PQHFDOBOSKIMTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.4
TPSA
44.48
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.15
Consensus LogP
2.06
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.52
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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