![CAS 21889-89-4 6-methyl-7-oxabicyclo[4.1.0]heptan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21889-89-4.gif)
CAS RN: 21889-89-4
6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
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.20250313 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21889-89-4
- Purity/Analytical Methods: >99.0%
21889-89-4 / 6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
Basic Information
CAS
21889-89-4
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
CC12CCCC(=O)C1O2
InChI
InChI=1S/C7H10O2/c1-7-4-2-3-5(8)6(7)9-7/h6H,2-4H2,1H3
InChIKey
QDIYYQQYVPMKJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
Molar refractivity
32.14
TPSA
29.6
LogP / Solubility
WLOGP
0.9
MLOGP
0.78
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-2.85
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
Customers Also Viewed
-
Euphorbia factor L8
- CAS RN: 218916-53-1
- Product Code: starshine_CAS218916-53-1
- Purity/Analytical method: >99.0%
-
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy- (9CI)
- CAS RN: 218916-64-4
- Product Code: SSC-105405
-
-
2-(((9H-fluoren-9-yl)Methoxy)carbonylaMino)-2-ethylbutanoic acid
- CAS RN: 218926-46-6
- Product Code: SSC-105408
-
2-(((9H-fluoren-9-yl)Methoxy)carbonylaMino)-2-butylhexanoic acid
- CAS RN: 218926-48-8
- Product Code: SSC-105409
-
![CAS 218916-64-4 Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/218916-64-4.gif)
