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CAS 17920-86-4 Di-furan-2-yl-methanone molecular structure lightbox
CAS RN: 17920-86-4

Di-furan-2-yl-methanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17920-86-4
  • Purity/Analytical Methods: >99.0%
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17920-86-4 / bis(furan-2-yl)methanone

Standard CAS: 17920-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17920-86-4
Multi CAS
No
Molecular Formula
C9H6O3
Molecular Weight
162.140000
Exact Mass
162.031694
SMILES
C1=COC(=C1)C(=O)C2=CC=CO2
InChI
InChI=1S/C9H6O3/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6H
InChIKey
HMKCSFHWMJHMTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.85
TPSA
43.35

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

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

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