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CAS 42916-67-6 1-(2-FLUOROPHENYL)PENTAN-1-ONE molecular structure lightbox
CAS RN: 42916-67-6

1-(2-FLUOROPHENYL)PENTAN-1-ONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251127 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS42916-67-6
  • Purity/Analytical Methods: >99.0%
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42916-67-6 / 1-(2-fluorophenyl)pentan-1-one

Standard CAS: 42916-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42916-67-6
Multi CAS
No
Molecular Formula
C11FH13O
Molecular Weight
180.220000
Exact Mass
180.095043
InChI
InChI=1S/C11H13FO/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3
InChIKey
YFKMUHNAUFPGMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
50.26
TPSA
17.07

LogP / Solubility

WLOGP
3.2
MLOGP
2.81
XLogP3
3.1
Consensus LogP
3.04
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-1.55

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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