CAS RN: 110876-52-3
2-Methyl-1,2′-dinaphthyl 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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250519 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTM1284
110876-52-3 / (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone
(2-methylnaphthalen-1-yl)(naphthalen-2-yl)methanone | DTXSID10627040 | RefChem:206193
Basic Information
CAS
110876-52-3
Multi CAS
No
Molecular Formula
C22H16O
Molecular Weight
296.400000
Exact Mass
296.120115
SMILES
CC1=C(C2=CC=CC=C2C=C1)C(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H16O/c1-15-10-11-17-7-4-5-9-20(17)21(15)22(23)19-13-12-16-6-2-3-8-18(16)14-19/h2-14H,1H3
InChIKey
GCDFSVMEIZNGPZ-UHFFFAOYSA-N
Synonyms
(2-methylnaphthalen-1-yl)(naphthalen-2-yl)methanone
DTXSID10627040
RefChem:206193
DTXCID10577793
2-Methyl-1,2'-dinaphthyl Ketone
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
96.07
TPSA
17.07
LogP / Solubility
WLOGP
5.53
MLOGP
4.88
XLogP3
6.1
Consensus LogP
5.5
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
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)
-0.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
