CAS RN: 3403-77-8
N,N’-Ethylenebis(propanamide)
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.20260425 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3403-77-8
- Purity/Analytical Methods: >99.0%
3403-77-8 / N-[2-(propanoylamino)ethyl]propanamide
Basic Information
CAS
3403-77-8
Multi CAS
No
Molecular Formula
C8H16N2O2
Molecular Weight
172.220000
Exact Mass
172.121178
InChI
InChI=1S/C8H16N2O2/c1-3-7(11)9-5-6-10-8(12)4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
USEVKDWMVPLICN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.6
TPSA
58.2
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
-0.2
Consensus LogP
-0.04
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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