CAS RN: 7389-38-0

5,5′-oxybis(5-methylene-2-furaldehyde)

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  • Product code: starshine_CAS7389-38-0
  • Purity/Analytical Methods: >99.0%
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7389-38-0 / 5-[(5-formylfuran-2-yl)methoxymethyl]furan-2-carbaldehyde

Standard CAS: 7389-38-0 Multi CAS: No

Basic Information

CAS
7389-38-0
Multi CAS
No
Molecular Formula
C12H10O5
Molecular Weight
234.200000
Exact Mass
234.052823
InChI
InChI=1S/C12H10O5/c13-5-9-1-3-11(16-9)7-15-8-12-4-2-10(6-14)17-12/h1-6H,7-8H2
InChIKey
TZTWOBUHCLWLNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
56.68
TPSA
69.65

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
0.9
Consensus LogP
1.69
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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