CAS RN: 138310-84-6
N-(4-Bromophenyl)-N-phenyl-1-naphthylamine
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.20251116 | 100mg / 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTB4299
- Purity/Analytical Methods: >98.0%(GC)
138310-84-6 / N-(4-bromophenyl)-N-phenylnaphthalen-1-amine
Basic Information
CAS
138310-84-6
Multi CAS
No
Molecular Formula
C22H16BrN
Molecular Weight
374.300000
Exact Mass
373.046610
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H16BrN/c23-18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22/h1-16H
InChIKey
ABMCIJZTMPDEGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
106.33
TPSA
3.24
LogP / Solubility
WLOGP
7.07
MLOGP
6.24
XLogP3
7.3
Consensus LogP
6.87
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
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)
0.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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