[email protected]
CAS 26393-91-9 1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE molecular structure lightbox
CAS RN: 26393-91-9

1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250915 1g Out of stock Inquiry
Batchno.20260321 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260113 25g Out of stock Inquiry
Batchno.20250419 5g Out of stock Inquiry
  • Product code: starshine_CAS26393-91-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

26393-91-9 / 1-(4-fluorophenyl)-2-methylpropan-1-one

Standard CAS: 26393-91-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26393-91-9
Multi CAS
No
Molecular Formula
C10H11FO
Molecular Weight
166.190000
Exact Mass
166.079393
SMILES
CC(C)C(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C10H11FO/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKey
MHUVRVXSYXJUPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
45.57
TPSA
17.07

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us