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CAS 118727-34-7 1,3,5-Tris(4-aminophenyl)benzene molecular structure lightbox
CAS RN: 118727-34-7

1,3,5-Tris(4-aminophenyl)benzene

  • Product code: SSC-018662
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118727-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

118727-34-7 / 4-[3,5-bis(4-aminophenyl)phenyl]aniline

1,3,5-tri(4-aminophenyl)benzene | RefChem:412692 | 1,3,5-Tris(4-aminophenyl)benzene

Standard CAS: 118727-34-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118727-34-7
Multi CAS
Yes
Molecular Formula
C24H21N3
Molecular Weight
351.400000
Exact Mass
351.173548
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N
InChI
InChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2
InChIKey
QHQSCKLPDVSEBJ-UHFFFAOYSA-N
Synonyms
1,3,5-tri(4-aminophenyl)benzene RefChem:412692 1,3,5-Tris(4-aminophenyl)benzene 5'-(4-Aminophenyl)-[1,1':3',1''-terphenyl]-4,4''-diamine 4-[3,5-BIS(4-AMINOPHENYL)PHENYL]ANILINE

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
115.99
TPSA
78.06

LogP / Solubility

WLOGP
5.43
MLOGP
4.8
XLogP3
3.9
Consensus LogP
4.71
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
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] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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