![CAS 2135820-16-3 2-Triphenylenamine, N-[1,1′-biphenyl]-2-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2135820-16-3.png)
CAS RN: 2135820-16-3
2-Triphenylenamine, N-[1,1′-biphenyl]-2-yl-
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.20250606 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2135820-16-3
- Purity/Analytical Methods: >99.0%
2135820-16-3 / N-(2-phenylphenyl)triphenylen-2-amine
Basic Information
CAS
2135820-16-3
Multi CAS
No
Molecular Formula
C30H21N
Molecular Weight
395.500000
Exact Mass
395.167400
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C30H21N/c1-2-10-21(11-3-1)23-12-8-9-17-30(23)31-22-18-19-28-26-15-5-4-13-24(26)25-14-6-7-16-27(25)29(28)20-22/h1-20,31H
InChIKey
XQHXQQPLPQGXGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
134.12
TPSA
12.03
LogP / Solubility
WLOGP
8.56
MLOGP
7.55
XLogP3
8
Consensus LogP
8.04
Log S (ESOL)
-8.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.69
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2135871-21-3 phenyl (R)-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2135871-21-3.png)
