CAS RN: 1762-15-8
2-Naphtylbenzyl ketone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1762-15-8
- Purity/Analytical Methods: >99.0%
1762-15-8 / 1-naphthalen-2-yl-2-phenylethanone
Basic Information
CAS
1762-15-8
Multi CAS
No
Molecular Formula
C18H14O
Molecular Weight
246.300000
Exact Mass
246.104465
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H14O/c19-18(12-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13H,12H2
InChIKey
FKBYIMMMZSGHHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
78.42
TPSA
17.07
LogP / Solubility
WLOGP
4.27
MLOGP
3.76
XLogP3
4.5
Consensus LogP
4.18
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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