CAS RN: 1092368-67-6
8-epidiosbulbin E acetate
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.20250130 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1092368-67-6
- Purity/Analytical Methods: >99.0%
1092368-67-6 / [(1R,2S,3S,5R,8S,10S,11S,13R)-8-(furan-3-yl)-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] acetate
RefChem:914555 | 8-Epidiosbulbin E acetate | 8-Epidiosbulbin E acetate, 98%
Basic Information
CAS
1092368-67-6
Multi CAS
Yes
Molecular Formula
C20H22O7
Molecular Weight
374.400000
Exact Mass
374.136553
SMILES
CC(=O)O[C@H]1C[C@@H]2[C@@H](C[C@H](OC2=O)C3=COC=C3)[C@H]4[C@H]1[C@H]5C[C@@H](C4)OC5=O
InChI
InChI=1S/C20H22O7/c1-9(21)25-17-7-14-12(6-16(27-19(14)22)10-2-3-24-8-10)13-4-11-5-15(18(13)17)20(23)26-11/h2-3,8,11-18H,4-7H2,1H3/t11-,12+,13+,14-,15-,16+,17+,18+/m1/s1
InChIKey
MAVLDEWQMKXELL-LPBQTOPCSA-N
Synonyms
RefChem:914555
8-Epidiosbulbin E acetate
8-Epidiosbulbin E acetate, 98%
AKOS037515356
[(1R,2S,3S,5R,8S,10S,11S,13R)-8-(furan-3-yl)-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] acetate
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
88.89
TPSA
92.04
LogP / Solubility
WLOGP
2.4
MLOGP
2.14
XLogP3
1.9
Consensus LogP
2.15
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
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