![CAS 57566-47-9 (3Z,7Z)-3,7,11-trimethyl-13-oxabicyclo[8.3.0]trideca-3,7,11,14-tetraene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57566-47-9.gif)
CAS RN: 57566-47-9
(3Z,7Z)-3,7,11-trimethyl-13-oxabicyclo[8.3.0]trideca-3,7,11,14-tetraene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260220 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS57566-47-9
- Purity/Analytical Methods: >99.0%
57566-47-9 / 3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
Basic Information
CAS
57566-47-9
Multi CAS
Yes
Molecular Formula
C15H20O
Molecular Weight
216.320000
Exact Mass
216.151415
InChI
InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+
InChIKey
VMDXHYHOJPKFEK-IAVOFVOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.47
H-bond acceptors
1
Molar refractivity
67.6
TPSA
13.14
LogP / Solubility
WLOGP
4.36
MLOGP
3.84
XLogP3
3.7
Consensus LogP
3.97
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94
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
3
Customers Also Viewed
-
PNU 37883 hydrochloride
- CAS RN: 57568-80-6
- Product Code: starshine_CAS57568-80-6
- Purity/Analytical method: >99.0%
-
-
Cycloartane-3,24,25-triol
- CAS RN: 57576-29-1
- Product Code: starshine_CAS57576-29-1
- Purity/Analytical method: >99.0%
-
(3aS)-3a,4,5,6,6aβ,7,8,9,9aβ,9bα-Decahydro-8α-(β-D-glucopyranosyloxy)-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one
- CAS RN: 57576-33-7
- Product Code: starshine_CAS57576-33-7
- Purity/Analytical method: >99.0%
-
(2,4-Dihydroxyphenyl)acetonitrile
- CAS RN: 57576-34-8
- Product Code: starshine_CAS57576-34-8
- Purity/Analytical method: >99.0%
-
Norcepharadione B
- CAS RN: 57576-41-7
- Product Code: starshine_CAS57576-41-7
- Purity/Analytical method: >99.0%
![CAS 57576-33-7 (3aS)-3a,4,5,6,6aβ,7,8,9,9aβ,9bα-Decahydro-8α-(β-D-glucopyranosyloxy)-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57576-33-7.gif)
