[email protected]
CAS 40503-94-4 4-(4-(TRIFLUOROMETHYL)PHENYL)CYCLOHEXANONE molecular structure lightbox
CAS RN: 40503-94-4

4-(4-(TRIFLUOROMETHYL)PHENYL)CYCLOHEXANONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS40503-94-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

40503-94-4 / 4-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

Standard CAS: 40503-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40503-94-4
Multi CAS
No
Molecular Formula
C13F3H13O
Molecular Weight
242.240000
Exact Mass
242.091850
InChI
InChI=1S/C13H13F3O/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-2,5-6,10H,3-4,7-8H2
InChIKey
RDPBFQBYWVHSME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.66
TPSA
17.07

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
3
Consensus LogP
3.47
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us