![CAS 15121-01-4 1-[7-Oxabicyclo[4.1.0]hept-1-yl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15121-01-4.gif)
CAS RN: 15121-01-4
1-[7-Oxabicyclo[4.1.0]hept-1-yl]ethanone
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.20251109 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS15121-01-4
- Purity/Analytical Methods: >99.0%
15121-01-4 / 1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanone
Basic Information
CAS
15121-01-4
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
CC(=O)C12CCCCC1O2
InChI
InChI=1S/C8H12O2/c1-6(9)8-5-3-2-4-7(8)10-8/h7H,2-5H2,1H3
InChIKey
IYVLEWWTLSXNMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.75
TPSA
29.6
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
0.7
Consensus LogP
1.04
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.66
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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- Product Code: starshine_CAS15128-50-4
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