CAS RN: 28566-12-3
3-Amino-cyclopent-2-enone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251223 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS28566-12-3
- Purity/Analytical Methods: >99.0%
28566-12-3 / 3-aminocyclopent-2-en-1-one
Basic Information
CAS
28566-12-3
Multi CAS
No
Molecular Formula
C5H7NO
Molecular Weight
97.120000
Exact Mass
97.052764
InChI
InChI=1S/C5H7NO/c6-4-1-2-5(7)3-4/h3H,1-2,6H2
InChIKey
LSROXAYPMFICCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.51
TPSA
43.09
LogP / Solubility
WLOGP
0.19
MLOGP
0.16
XLogP3
-0.4
Consensus LogP
-0.02
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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