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CAS 873867-94-8 3,4,5′-Trimethoxy-3′,4′-methylenedioxy-7,9′:7′,9-diepoxylignan molecular structure lightbox
CAS RN: 873867-94-8

3,4,5′-Trimethoxy-3′,4′-methylenedioxy-7,9′:7′,9-diepoxylignan

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 5mg Out of stock Inquiry
  • Product code: starshine_CAS873867-94-8
  • Purity/Analytical Methods: >99.0%
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873867-94-8 / 6-[3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-methoxy-1,3-benzodioxole

Standard CAS: 873867-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
873867-94-8
Multi CAS
Yes
Molecular Formula
C22H24O7
Molecular Weight
400.400000
Exact Mass
400.152203
InChI
InChI=1S/C22H24O7/c1-23-16-5-4-12(6-17(16)24-2)20-14-9-27-21(15(14)10-26-20)13-7-18(25-3)22-19(8-13)28-11-29-22/h4-8,14-15,20-21H,9-11H2,1-3H3
InChIKey
UTPBMRNHPNUBLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
103.03
TPSA
64.61

LogP / Solubility

WLOGP
3.52
MLOGP
3.12
XLogP3
2.8
Consensus LogP
3.15
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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