CAS RN: 56711-06-9
AC-ILE-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.20251015 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56711-06-9
- Purity/Analytical Methods: >99.0%
56711-06-9 / 2-acetamido-3-methylpentanamide
Basic Information
CAS
56711-06-9
Multi CAS
Yes
Molecular Formula
C8H16N2O2
Molecular Weight
172.220000
Exact Mass
172.121178
InChI
InChI=1S/C8H16N2O2/c1-4-5(2)7(8(9)12)10-6(3)11/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)/t5-,7-/m0/s1
InChIKey
WFBXRBMLCXMBBM-FSPLSTOPSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.25
TPSA
72.19
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
Consensus LogP
0.01
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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