![CAS 2061993-66-4 Naphthalene, 1-(4′-chloro[1,1′-biphenyl]-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2061993-66-4.png)
CAS RN: 2061993-66-4
Naphthalene, 1-(4′-chloro[1,1′-biphenyl]-3-yl)-
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.20250522 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2061993-66-4
- Purity/Analytical Methods: >99.0%
2061993-66-4 / 1-[3-(4-chlorophenyl)phenyl]naphthalene
Basic Information
CAS
2061993-66-4
Multi CAS
No
Molecular Formula
C22H15Cl
Molecular Weight
314.800000
Exact Mass
314.086228
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=CC(=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15Cl/c23-20-13-11-16(12-14-20)18-7-3-8-19(15-18)22-10-4-6-17-5-1-2-9-21(17)22/h1-15H
InChIKey
ZVTDFCVRPNKYRG-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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