CAS RN: 224040-86-2
1-(naphthalen-2-yl)-2-(pyridin-4-yl)ethanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS224040-86-2
- Purity/Analytical Methods: >99.0%
224040-86-2 / 1-naphthalen-2-yl-2-pyridin-4-ylethanone
Basic Information
CAS
224040-86-2
Multi CAS
No
Molecular Formula
C17H13NO
Molecular Weight
247.290000
Exact Mass
247.099714
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CC3=CC=NC=C3
InChI
InChI=1S/C17H13NO/c19-17(11-13-7-9-18-10-8-13)16-6-5-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2
InChIKey
FPYXFESVUPAJGD-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
2
Molar refractivity
76.22
TPSA
29.96
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
3.4
Consensus LogP
3.43
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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