![CAS 889443-69-0 S-(-)-[1-(3-Methoxyphenyl)ethyl]-N,N-diMethylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889443-69-0.gif)
CAS RN: 889443-69-0
S-(-)-[1-(3-Methoxyphenyl)ethyl]-N,N-diMethylaMine
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.20251018 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS889443-69-0
- Purity/Analytical Methods: >99.0%
889443-69-0 / 1-(3-methoxyphenyl)-N,N-dimethylethanamine
Basic Information
CAS
889443-69-0
Multi CAS
Yes
Molecular Formula
C11H17NO
Molecular Weight
179.260000
Exact Mass
179.131014
InChI
InChI=1S/C11H17NO/c1-9(12(2)3)10-6-5-7-11(8-10)13-4/h5-9H,1-4H3
InChIKey
KFKCIWQNLGOHOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
55.1
TPSA
12.47
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.17
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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