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CAS 14360-50-0 2-HEXANOYLFURAN molecular structure lightbox
CAS RN: 14360-50-0

2-HEXANOYLFURAN

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250325 25g In stock Inquiry
Batchno.20251111 5g In stock Inquiry
  • Product code: starshine_CAS14360-50-0
  • Purity/Analytical Methods: >99.0%
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14360-50-0 / 1-(furan-2-yl)hexan-1-one

Standard CAS: 14360-50-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14360-50-0
Multi CAS
No
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
SMILES
CCCCCC(=O)C1=CC=CO1
InChI
InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChIKey
YUAYWSBSIJVIBS-UHFFFAOYSA-N

Physical Properties

Density
0.992-0.998
Physical Description
Colourless to yellow liquid; Apricot, peach-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
47.18
TPSA
30.21

LogP / Solubility

WLOGP
3.04
MLOGP
2.67
XLogP3
2.4
Consensus LogP
2.7
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-1.57

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (22.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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