![CAS 1267624-16-7 6-(2-Methyl-1-oxo-2-propen-1-yl)-6-azabicyclo[3.2.0]heptan-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1267624-16-7.gif)
CAS RN: 1267624-16-7
6-(2-Methyl-1-oxo-2-propen-1-yl)-6-azabicyclo[3.2.0]heptan-7-one
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260514 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20251102 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250228 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260214 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260617 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1267624-16-7
- Purity/Analytical Methods: >99.0%
1267624-16-7 / 6-(2-methylprop-2-enoyl)-6-azabicyclo[3.2.0]heptan-7-one
Basic Information
CAS
1267624-16-7
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CC(=C)C(=O)N1C2CCCC2C1=O
InChI
InChI=1S/C10H13NO2/c1-6(2)9(12)11-8-5-3-4-7(8)10(11)13/h7-8H,1,3-5H2,2H3
InChIKey
LTOHYCJMUWCZBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.8
TPSA
37.38
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.03
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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