[email protected]
CAS 642-29-5 1-NAPHTHYL PHENYL KETONE molecular structure lightbox
CAS RN: 642-29-5

1-NAPHTHYL PHENYL KETONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS642-29-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

642-29-5 / naphthalen-1-yl(phenyl)methanone

Standard CAS: 642-29-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
642-29-5
Multi CAS
Yes
Molecular Formula
C17H12O
Molecular Weight
232.280000
Exact Mass
232.088815
InChI
InChI=1S/C17H12O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChIKey
CXAYOCVHDCXPAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
73.82
TPSA
17.07

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
4.5
Consensus LogP
4.05
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25

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