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CAS 89114-91-0 4-(2,2-Diphenylethenyl)-N,N-di(p-tolyl)aniline molecular structure lightbox
CAS RN: 89114-91-0

4-(2,2-Diphenylethenyl)-N,N-di(p-tolyl)aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-200981
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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 89114-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

89114-91-0 / N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline

Standard CAS: 89114-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89114-91-0
Multi CAS
No
Molecular Formula
C34H29N
Molecular Weight
451.600000
Exact Mass
451.230000
InChI
InChI=1S/C34H29N/c1-26-13-19-31(20-14-26)35(32-21-15-27(2)16-22-32)33-23-17-28(18-24-33)25-34(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-25H,1-2H3
InChIKey
ZHGLWMUJQVWWQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
150.46
TPSA
3.24

LogP / Solubility

WLOGP
9.36
MLOGP
8.27
XLogP3
10
Consensus LogP
9.21
Log S (ESOL)
-8.78
Class (ESOL)
Insoluble
Log S (Ali)
-10.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.09
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)
1.17

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
3.5

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