CAS RN: 46438-07-7
ETHYL 2-METHYLPHENYLALANINE
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.20260521 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS46438-07-7
- Purity/Analytical Methods: >99.0%
46438-07-7 / ethyl 2-amino-3-(2-methylphenyl)propanoate
Basic Information
CAS
46438-07-7
Multi CAS
Yes
Molecular Formula
C12H17NO2
Molecular Weight
207.270000
Exact Mass
207.125929
InChI
InChI=1S/C12H17NO2/c1-3-15-11(14)12(2,13)9-10-7-5-4-6-8-10/h4-8H,3,9,13H2,1-2H3
InChIKey
XKINIYKYOMQSRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.49
TPSA
52.32
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1.9
Consensus LogP
1.53
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.97
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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