CAS RN: 73954-34-4
N-(2,2-dimethoxy-ethyl)-3,4-dimethoxyphenylacetamide
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.20251026 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINN915969
73954-34-4 / N-(2,2-dimethoxyethyl)-2-(3,4-dimethoxyphenyl)acetamide
Basic Information
CAS
73954-34-4
Multi CAS
No
Molecular Formula
C14H21NO5
Molecular Weight
283.320000
Exact Mass
283.141973
InChI
InChI=1S/C14H21NO5/c1-17-11-6-5-10(7-12(11)18-2)8-13(16)15-9-14(19-3)20-4/h5-7,14H,8-9H2,1-4H3,(H,15,16)
InChIKey
BYIGDPKFPQSZOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.07
TPSA
66.02
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
0.6
Consensus LogP
0.82
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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