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CAS 21963-26-8 5-pentylfuran-2(5H)-one molecular structure lightbox
CAS RN: 21963-26-8

5-pentylfuran-2(5H)-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS21963-26-8
  • Purity/Analytical Methods: >99.0%
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21963-26-8 / 2-pentyl-2H-furan-5-one

Standard CAS: 21963-26-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21963-26-8
Multi CAS
No
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
SMILES
CCCCCC1C=CC(=O)O1
InChI
InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3
InChIKey
MXZSZHJBUODOJK-UHFFFAOYSA-N

Physical Properties

Density
0.982-0.986
Physical Description
Colourless liquid; Minty fruit-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
43.16
TPSA
26.3

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.6
Consensus LogP
2.15
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.21

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
2

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