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CAS 30078-67-2 1-(furan-3-yl)propan-1-one molecular structure lightbox
CAS RN: 30078-67-2

1-(furan-3-yl)propan-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS30078-67-2
  • Purity/Analytical Methods: >99.0%
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30078-67-2 / 1-(furan-3-yl)propan-1-one

Standard CAS: 30078-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30078-67-2
Multi CAS
No
Molecular Formula
C7H8O2
Molecular Weight
124.140000
Exact Mass
124.052429
InChI
InChI=1S/C7H8O2/c1-2-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3
InChIKey
VOFHDKCRXWKQQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.33
TPSA
30.21

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.6
Consensus LogP
1.7
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-2.15

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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