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CAS 1555803-96-7 5-Cyclobutylfuran-2-carbaldehyde molecular structure lightbox
CAS RN: 1555803-96-7

5-Cyclobutylfuran-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINC913802
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1555803-96-7 / 5-cyclobutylfuran-2-carbaldehyde

Standard CAS: 1555803-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1555803-96-7
Multi CAS
No
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
SMILES
C1CC(C1)C2=CC=C(O2)C=O
InChI
InChI=1S/C9H10O2/c10-6-8-4-5-9(11-8)7-2-1-3-7/h4-7H,1-3H2
InChIKey
LTPWFCGRXGYHOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.69
TPSA
30.21

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
1.4
Consensus LogP
1.94
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-1.96

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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