CAS RN: 59643-91-3
Imexon
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.20260524 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59643-91-3
- Purity/Analytical Methods: >99.0%
59643-91-3 / 4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one
Basic Information
CAS
59643-91-3
Multi CAS
Yes
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
InChI
InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)
InChIKey
BIXBBIPTYBJTRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27.51
TPSA
58.46
LogP / Solubility
WLOGP
-0.84
MLOGP
-0.75
XLogP3
-1.4
Consensus LogP
-1
Class (ESOL)
Very soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.31
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.99
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
2.5
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