CAS RN: 21156-62-7
AC-D-PHE-OME
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.20251114 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21156-62-7
- Purity/Analytical Methods: >99.0%
21156-62-7 / methyl (2R)-2-acetamido-3-phenylpropanoate
Basic Information
CAS
21156-62-7
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKey
IKGHIFGXPVLPFD-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.77
TPSA
55.4
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-3.43
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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