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CAS 23074-10-4 5-Ethylfuran-2-carbaldehyde molecular structure lightbox
CAS RN: 23074-10-4

5-Ethylfuran-2-carbaldehyde

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LINE913600
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23074-10-4 / 5-ethylfuran-2-carbaldehyde

Standard CAS: 23074-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23074-10-4
Multi CAS
No
Molecular Formula
C7H8O2
Molecular Weight
124.140000
Exact Mass
124.052429
SMILES
CCC1=CC=C(O1)C=O
InChI
InChI=1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
InChIKey
XADGZBXFWQHBDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.47
TPSA
30.21

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.1
Consensus LogP
1.4
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

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

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