CAS RN: 4428-98-2
N-Cyanomethanimidic acid ethyl ester
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.20260308 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4428-98-2
- Purity/Analytical Methods: >99.0%
4428-98-2 / ethyl N-cyanomethanimidate
Basic Information
CAS
4428-98-2
Multi CAS
No
Molecular Formula
C4H6N2O
Molecular Weight
98.100000
Exact Mass
98.048013
InChI
InChI=1S/C4H6N2O/c1-2-7-4-6-3-5/h4H,2H2,1H3
InChIKey
MWIGGUZSIJZLJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
25.73
TPSA
45.38
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.8
Consensus LogP
0.6
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
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)
-2.94
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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