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CAS RN: 1402067-84-8
Eupalinolide 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.20260313 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1402067-84-8
- Purity/Analytical Methods: >99.0%
1402067-84-8 / [9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate
Basic Information
CAS
1402067-84-8
Multi CAS
No
Molecular Formula
C24H30O9
Molecular Weight
462.500000
Exact Mass
462.188983
SMILES
CC1=CC2C(C(CC(=CCC1OC(=O)C)COC(=O)C)OC(=O)C(=CCO)C)C(=C)C(=O)O2
InChI
InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3/b13-8+,14-10-,18-6-/t19-,20-,21-,22+/m1/s1
InChIKey
HPWMABTYJYZFLK-QSNTWNIGSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
116.49
TPSA
125.43
LogP / Solubility
WLOGP
2.1
MLOGP
1.88
XLogP3
1.2
Consensus LogP
1.73
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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)
-4.05
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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