[email protected]
CAS 61259-29-8 1-CYCLOHEXYL-2-PHENYL-1-ETHANONE molecular structure lightbox
CAS RN: 61259-29-8

1-CYCLOHEXYL-2-PHENYL-1-ETHANONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS61259-29-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

61259-29-8 / 1-cyclohexyl-2-phenylethanone

Standard CAS: 61259-29-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61259-29-8
Multi CAS
No
Molecular Formula
C14H18O
Molecular Weight
202.290000
Exact Mass
202.135765
InChI
InChI=1S/C14H18O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey
NHBBLULITNXPDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
61.73
TPSA
17.07

LogP / Solubility

WLOGP
3.38
MLOGP
2.97
XLogP3
3.6
Consensus LogP
3.32
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-1.56

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