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CAS 3710-43-8 2,4-dimethylfuran molecular structure lightbox
CAS RN: 3710-43-8

2,4-dimethylfuran

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250125 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3710-43-8
  • Purity/Analytical Methods: >99.0%
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3710-43-8 / 2,4-dimethylfuran

Standard CAS: 3710-43-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3710-43-8
Multi CAS
No
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
InChI
InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKey
AABTWRKUKUPMJG-UHFFFAOYSA-N

Physical Properties

Boiling Point
94.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
1
Molar refractivity
28.18
TPSA
13.14

LogP / Solubility

WLOGP
1.9
MLOGP
1.66
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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
Leadlikeness
No
Synthetic Accessibility
1.5

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