CAS RN: 15962-47-7
AC-ALA-NH2
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.20250619 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15962-47-7
- Purity/Analytical Methods: >99.0%
15962-47-7 / (2S)-2-acetamidopropanamide
Basic Information
CAS
15962-47-7
Multi CAS
No
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
SMILES
C[C@@H](C(=O)N)NC(=O)C
InChI
InChI=1S/C5H10N2O2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H2,6,9)(H,7,8)/t3-/m0/s1
InChIKey
DVOVBGJJSFSOPZ-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.47
TPSA
72.19
LogP / Solubility
WLOGP
-1
MLOGP
-0.89
XLogP3
-1.5
Consensus LogP
-1.13
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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