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CAS 97218-06-9 Eriobofuran molecular structure lightbox
CAS RN: 97218-06-9

Eriobofuran

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Batchno.20250517 5mg Out of stock Inquiry
  • Product code: starshine_CAS97218-06-9
  • Purity/Analytical Methods: >99.0%
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97218-06-9 / 2,4-dimethoxydibenzofuran-3-ol

Standard CAS: 97218-06-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
97218-06-9
Multi CAS
No
Molecular Formula
C14H12O4
Molecular Weight
244.240000
Exact Mass
244.073559
InChI
InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3
InChIKey
IPAVEOUAXMIIKX-UHFFFAOYSA-N

Physical Properties

Melting Point
157 - 158 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.49
TPSA
51.83

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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