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CAS 195443-34-6 N-(4′-Iodobiphenyl-4-yl)-N-(m-tolyl)aniline molecular structure lightbox
CAS RN: 195443-34-6

N-(4′-Iodobiphenyl-4-yl)-N-(m-tolyl)aniline

  • Product code: SSC-092183
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥96%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 195443-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Hong Kong Inquiry

195443-34-6 / N-[4-(4-iodophenyl)phenyl]-3-methyl-N-phenylaniline

Standard CAS: 195443-34-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
195443-34-6
Multi CAS
No
Molecular Formula
C25H20IN
Molecular Weight
461.300000
Exact Mass
461.064050
SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)I
InChI
InChI=1S/C25H20IN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3
InChIKey
AKQZSFMSAULQQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
124.02
TPSA
3.24

LogP / Solubility

WLOGP
7.74
MLOGP
6.84
XLogP3
7.8
Consensus LogP
7.46
Log S (ESOL)
-7.97
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
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)
-0.04

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
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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