CAS RN: 174732-61-7
Phenylalanine, 3-ethoxy- (9CI)
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.20260513 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS174732-61-7
- Purity/Analytical Methods: >99.0%
174732-61-7 / 2-amino-3-(3-ethoxyphenyl)propanoic acid
Basic Information
CAS
174732-61-7
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
SMILES
CCOC1=CC=CC(=C1)CC(C(=O)O)N
InChI
InChI=1S/C11H15NO3/c1-2-15-9-5-3-4-8(6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChIKey
SEYVYCRBBASCRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.93
TPSA
72.55
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
-1.1
Consensus LogP
0.29
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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