CAS RN: 193694-24-5
8beta-Methoxyatractylenolide I
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.20250902 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS193694-24-5
- Purity/Analytical Methods: >99.0%
193694-24-5 / (4aS,8aR,9aS)-9a-methoxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Basic Information
CAS
193694-24-5
Multi CAS
No
Molecular Formula
C16H22O3
Molecular Weight
262.340000
Exact Mass
262.156895
SMILES
CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)OC)C
InChI
InChI=1S/C16H22O3/c1-10-6-5-7-15(3)9-16(18-4)13(8-12(10)15)11(2)14(17)19-16/h12H,1,5-9H2,2-4H3/t12-,15+,16-/m0/s1
InChIKey
JYNGEEVMOBHTOS-MAZHCROVSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.35
TPSA
35.53
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
2.6
Consensus LogP
2.97
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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