![CAS 72229-08-4 2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72229-08-4.gif)
CAS RN: 72229-08-4
2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS72229-08-4
- Purity/Analytical Methods: >99.0%
72229-08-4 / ethyl 2-oxabicyclo[4.1.0]heptane-7-carboxylate
Basic Information
CAS
72229-08-4
Multi CAS
No
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
InChI
InChI=1S/C9H14O3/c1-2-11-9(10)7-6-4-3-5-12-8(6)7/h6-8H,2-5H2,1H3
InChIKey
VWTGCGVIXDXFTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
42.59
TPSA
35.53
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
2α-Hydroxyeupatolide 8-O-angelate
- CAS RN: 72229-39-1
- Product Code: starshine_CAS72229-39-1
- Purity/Analytical method: >99.0%
-
NEOLINUSTATIN
- CAS RN: 72229-42-6
- Product Code: starshine_CAS72229-42-6
- Purity/Analytical method: >99.0%
-
-
-
-
