CAS RN: 139405-55-3
2-Demethoxyleptostachyol 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.20251110 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS139405-55-3
- Purity/Analytical Methods: >99.0%
139405-55-3 / [6-(4,6-dimethoxy-1,3-benzodioxol-5-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate
Basic Information
CAS
139405-55-3
Multi CAS
No
Molecular Formula
C25H26O11
Molecular Weight
502.500000
Exact Mass
502.147512
SMILES
CC(=O)OC12COC(C1COC2C3=CC4=C(C=C3OC)OCO4)C5=C(C=C6C(=C5OC)OCO6)OC
InChI
InChI=1S/C25H26O11/c1-12(26)36-25-9-31-21(20-18(28-3)7-19-22(23(20)29-4)35-11-34-19)14(25)8-30-24(25)13-5-16-17(33-10-32-16)6-15(13)27-2/h5-7,14,21,24H,8-11H2,1-4H3
InChIKey
NEVZOKDDDUKDFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
11
Molar refractivity
120.16
TPSA
109.37
LogP / Solubility
WLOGP
2.93
MLOGP
2.62
XLogP3
2.1
Consensus LogP
2.55
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7.5
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