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CAS 126298-48-4 6-Demethoxyleptostachyol acetate molecular structure lightbox
CAS RN: 126298-48-4

6-Demethoxyleptostachyol acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS126298-48-4
  • Purity/Analytical Methods: >99.0%
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126298-48-4 / [6-(4,6-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate

Standard CAS: 126298-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126298-48-4
Multi CAS
No
Molecular Formula
C25H26O11
Molecular Weight
502.500000
Exact Mass
502.147512
SMILES
CC(=O)OC12COC(C1COC2C3=C(C4=C(C=C3)OCO4)OC)C5=C(C=C6C(=C5OC)OCO6)OC
InChI
InChI=1S/C25H26O11/c1-12(26)36-25-9-31-20(18-16(27-2)7-17-22(23(18)29-4)35-11-33-17)14(25)8-30-24(25)13-5-6-15-21(19(13)28-3)34-10-32-15/h5-7,14,20,24H,8-11H2,1-4H3
InChIKey
ZJQNWSZQXNWZFB-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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