CAS RN: 915031-02-6
N,N-di(biphenyl-4-yl)-4′-chlorobiphenyl-4-amine
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.20260424 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS915031-02-6
- Purity/Analytical Methods: >99.0%
915031-02-6 / N-[4-(4-chlorophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
Basic Information
CAS
915031-02-6
Multi CAS
No
Molecular Formula
C36H26CLN
Molecular Weight
508.000000
Exact Mass
507.175378
InChI
InChI=1S/C36H26ClN/c37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28/h1-26H
InChIKey
CGIXFDSZDGXCOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
162.44
TPSA
3.24
LogP / Solubility
WLOGP
10.81
MLOGP
9.55
XLogP3
10.7
Consensus LogP
10.35
Log S (ESOL)
-10.11
Class (ESOL)
Insoluble
Log S (Ali)
-11.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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