CAS RN: 3742-63-0
Acetic acid isopropylidene-hydrazide
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.20250325 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS3742-63-0
- Purity/Analytical Methods: >99.0%
3742-63-0 / N-(propan-2-ylideneamino)acetamide
Basic Information
CAS
3742-63-0
Multi CAS
Yes
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
InChI
InChI=1S/C5H10N2O/c1-4(2)6-7-5(3)8/h1-3H3,(H,7,8)
InChIKey
XLHDGJPPMZUJIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.6
TPSA
41.46
LogP / Solubility
WLOGP
0.52
MLOGP
0.45
XLogP3
-0.3
Consensus LogP
0.22
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.05
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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