CAS RN: 54494-34-7
jolkinolide E
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.20250818 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS54494-34-7
- Purity/Analytical Methods: >99.0%
54494-34-7 / (4aR,10aR,11aR,11bR)-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
Basic Information
CAS
54494-34-7
Multi CAS
Yes
Molecular Formula
C20H28O2
Molecular Weight
300.400000
Exact Mass
300.208930
InChI
InChI=1S/C20H28O2/c1-12-14-10-13-6-7-17-19(2,3)8-5-9-20(17,4)15(13)11-16(14)22-18(12)21/h10,15-17H,5-9,11H2,1-4H3/t15-,16-,17-,20+/m1/s1
InChIKey
ZXEVPUOHSXARBR-VIPLHTEESA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
87.23
TPSA
26.3
LogP / Solubility
WLOGP
4.8
MLOGP
4.24
XLogP3
4.8
Consensus LogP
4.61
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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