CAS RN: 36060-84-1
AC-PHG-OME
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS36060-84-1
- Purity/Analytical Methods: >99.0%
36060-84-1 / methyl (2S)-2-acetamido-2-phenylacetate
Basic Information
CAS
36060-84-1
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
CC(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,12,13)/t10-/m0/s1
InChIKey
SAPRVTLHJXZROQ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.02
TPSA
55.4
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
1.2
Consensus LogP
1.05
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.25
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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