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CAS 1784267-13-5 5-Cyclopentylfuran-2-carbaldehyde molecular structure lightbox
CAS RN: 1784267-13-5

5-Cyclopentylfuran-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINC913803
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1784267-13-5 / 5-cyclopentylfuran-2-carbaldehyde

Standard CAS: 1784267-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1784267-13-5
Multi CAS
No
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
C1CCC(C1)C2=CC=C(O2)C=O
InChI
InChI=1S/C10H12O2/c11-7-9-5-6-10(12-9)8-3-1-2-4-8/h5-8H,1-4H2
InChIKey
CHZTUCWSILXROG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.3
TPSA
30.21

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
1.9
Consensus LogP
2.36
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-1.77

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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