![CAS 4838-35-1 ETHYL 2-[(2-PHENYLACETYL)AMINO]ACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4838-35-1.gif)
CAS RN: 4838-35-1
ETHYL 2-[(2-PHENYLACETYL)AMINO]ACETATE
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.20260111 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4838-35-1
- Purity/Analytical Methods: >99.0%
4838-35-1 / ethyl 2-[(2-phenylacetyl)amino]acetate
Basic Information
CAS
4838-35-1
Multi CAS
Yes
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
InChI
InChI=1S/C12H15NO3/c1-2-16-12(15)9-13-11(14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKey
JMOABIAPWACPKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.79
TPSA
55.4
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
1.6
Consensus LogP
1.1
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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