[email protected]
CAS 63416-65-9 4-(2-fluorophenyl)butan-2-one molecular structure lightbox
CAS RN: 63416-65-9

4-(2-fluorophenyl)butan-2-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250603 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS63416-65-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

63416-65-9 / 4-(2-fluorophenyl)butan-2-one

Standard CAS: 63416-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63416-65-9
Multi CAS
No
Molecular Formula
C10FH11O
Molecular Weight
166.190000
Exact Mass
166.079393
InChI
InChI=1S/C10H11FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKey
GDRXVYJUCGIYLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
45.4
TPSA
17.07

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
1.9
Consensus LogP
2.1
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.07

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