CAS RN: 54879-88-8
N-BENZYL-2,2-DIMETHOXYETHANAMINE
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.20250509 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54879-88-8
- Purity/Analytical Methods: >99.0%
54879-88-8 / N-benzyl-2,2-dimethoxyethanamine
Basic Information
CAS
54879-88-8
Multi CAS
Yes
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
InChI
InChI=1S/C11H17NO2/c1-13-11(14-2)9-12-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChIKey
LODLUMZUJRFPLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.95
TPSA
30.49
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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