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CAS 139994-47-1 N,N’-Di(2-naphthyl)-N,N’-diphenyl-1,4-phenylenediamine molecular structure lightbox
CAS RN: 139994-47-1

N,N’-Di(2-naphthyl)-N,N’-diphenyl-1,4-phenylenediamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250519 200mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-050451
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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: ≥98%
  • 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 139994-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

139994-47-1 / 1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenylbenzene-1,4-diamine

Standard CAS: 139994-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139994-47-1
Multi CAS
No
Molecular Formula
C38H28N2
Molecular Weight
512.600000
Exact Mass
512.225249
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6
InChI
InChI=1S/C38H28N2/c1-3-15-33(16-4-1)39(37-21-19-29-11-7-9-13-31(29)27-37)35-23-25-36(26-24-35)40(34-17-5-2-6-18-34)38-22-20-30-12-8-10-14-32(30)28-38/h1-28H
InChIKey
QVDYERLGSGAPKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
38
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
170.82
TPSA
6.48

LogP / Solubility

WLOGP
10.93
MLOGP
9.66
XLogP3
10.9
Consensus LogP
10.5
Log S (ESOL)
-10.21
Class (ESOL)
Insoluble
Log S (Ali)
-11.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.79
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)
1.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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