CAS RN: 33628-84-1
Methyl Z-L-AlaninaMide
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.20250202 | 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS33628-84-1
- Purity/Analytical Methods: >99.0%
33628-84-1 / benzyl N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
Basic Information
CAS
33628-84-1
Multi CAS
Yes
Molecular Formula
C12H16N2O3
Molecular Weight
236.270000
Exact Mass
236.116092
InChI
InChI=1S/C12H16N2O3/c1-9(11(15)13-2)14-12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKey
OGLOMKXQVPOBEP-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.29
TPSA
67.43
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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
2
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