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CAS 138171-14-9 N,N’-Diphenyl-N,N’-bis(p-tolyl)-1,4-phenylenediamine molecular structure lightbox
CAS RN: 138171-14-9

N,N’-Diphenyl-N,N’-bis(p-tolyl)-1,4-phenylenediamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251020 200mg In stock Shanghai Inquiry
  • Product code: SSC-048113
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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: ≥95%
  • 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 138171-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

138171-14-9 / 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine

Standard CAS: 138171-14-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138171-14-9
Multi CAS
No
Molecular Formula
C32H28N2
Molecular Weight
440.600000
Exact Mass
440.225249
SMILES
CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C
InChI
InChI=1S/C32H28N2/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-24H,1-2H3
InChIKey
FQNVFRPAQRVHKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
145.28
TPSA
6.48

LogP / Solubility

WLOGP
9.24
MLOGP
8.16
XLogP3
9.1
Consensus LogP
8.83
Log S (ESOL)
-8.65
Class (ESOL)
Insoluble
Log S (Ali)
-9.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.92
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)
1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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