CAS RN: 2241385-18-0
Naphthalene, 1-(4-chlorophenyl)-4-phenyl-
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.20260613 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2241385-18-0
- Purity/Analytical Methods: >99.0%
2241385-18-0 / 1-(4-chlorophenyl)-4-phenylnaphthalene
Basic Information
CAS
2241385-18-0
Multi CAS
No
Molecular Formula
C22H15Cl
Molecular Weight
314.800000
Exact Mass
314.086228
SMILES
C1=CC=C(C=C1)C2=CC=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15Cl/c23-18-12-10-17(11-13-18)20-15-14-19(16-6-2-1-3-7-16)21-8-4-5-9-22(20)21/h1-15H
InChIKey
YAFYZEIKEBHQBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
2
Molar refractivity
99.83
TPSA
0.0000
LogP / Solubility
WLOGP
6.83
MLOGP
6.02
XLogP3
7.1
Consensus LogP
6.65
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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