CAS RN: 1000865-06-4
Eupalinolide C
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.20260523 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000865-06-4
- Purity/Analytical Methods: >99.0%
1000865-06-4 / [(3aS,6E,10Z,11aS)-9-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
Eupalinolide C | Eupalinolide H | 1000865-06-4
Basic Information
CAS
1000865-06-4
Multi CAS
Yes
Molecular Formula
C22H28O8
Molecular Weight
420.500000
Exact Mass
420.178418
SMILES
C/C/1=C/[C@H]2[C@H](C(C/C(=C\CC1OC(=O)C)/CO)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2
InChI
InChI=1S/C22H28O8/c1-12(7-8-23)21(26)29-19-10-16(11-24)5-6-17(28-15(4)25)13(2)9-18-20(19)14(3)22(27)30-18/h5,7,9,17-20,23-24H,3,6,8,10-11H2,1-2,4H3
InChIKey
INXZZSZBRLXKNT-UHFFFAOYSA-N
Synonyms
Eupalinolide C
Eupalinolide H
1000865-06-4
CGC06783
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
106.95
TPSA
119.36
LogP / Solubility
WLOGP
1.53
MLOGP
1.37
XLogP3
0.6
Consensus LogP
1.17
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
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)
-4.2
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
6
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