CAS RN: 323176-93-8
Ethyl α-(p-Methoxyphenyl)-β-(dimethylamino)propionate
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.20260204 | 25mg / 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS323176-93-8
- Purity/Analytical Methods: >99.0%
323176-93-8 / ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
Basic Information
CAS
323176-93-8
Multi CAS
No
Molecular Formula
C14H21NO3
Molecular Weight
251.320000
Exact Mass
251.152144
InChI
InChI=1S/C14H21NO3/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11/h6-9,13H,5,10H2,1-4H3
InChIKey
AYXZUXPFYCNRFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
70.92
TPSA
38.77
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
2.1
Consensus LogP
1.89
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.59
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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