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CAS 102664-66-4 N,N’,N”-Triphenyl-1,3,5-benzenetriamine molecular structure lightbox
CAS RN: 102664-66-4

N,N’,N”-Triphenyl-1,3,5-benzenetriamine

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 25g In stock Shanghai Inquiry
Batchno.20250504 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-003942
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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: 5g
  • 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 102664-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

102664-66-4 / 1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

N,N',N''-Triphenyl-1,3,5-benzenetriamine | DTXSID60281055 | RefChem:358277

Standard CAS: 102664-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102664-66-4
Multi CAS
Yes
Molecular Formula
C24H21N3
Molecular Weight
351.400000
Exact Mass
351.173548
SMILES
C1=CC=C(C=C1)NC2=CC(=CC(=C2)NC3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C24H21N3/c1-4-10-19(11-5-1)25-22-16-23(26-20-12-6-2-7-13-20)18-24(17-22)27-21-14-8-3-9-15-21/h1-18,25-27H
InChIKey
BMQHYGLEATWRFO-UHFFFAOYSA-N
Synonyms
N,N',N''-Triphenyl-1,3,5-benzenetriamine DTXSID60281055 RefChem:358277 DTXCID60232209 MFCD01463903

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
115.62
TPSA
36.09

LogP / Solubility

WLOGP
6.92
MLOGP
6.11
XLogP3
6.5
Consensus LogP
6.51
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
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)
0.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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