CAS RN: 5463-92-3
diethyl 2-acetamido-2-phenethyl-propanedioate
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.20250516 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS5463-92-3
- Purity/Analytical Methods: >99.0%
5463-92-3 / diethyl 2-acetamido-2-(2-phenylethyl)propanedioate
Basic Information
CAS
5463-92-3
Multi CAS
Yes
Molecular Formula
C17H23NO5
Molecular Weight
321.400000
Exact Mass
321.157623
InChI
InChI=1S/C17H23NO5/c1-4-22-15(20)17(18-13(3)19,16(21)23-5-2)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,18,19)
InChIKey
VRDSDOBEYJYDLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
84.58
TPSA
81.7
LogP / Solubility
WLOGP
1.62
MLOGP
1.44
XLogP3
2.5
Consensus LogP
1.85
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
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
2.5
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