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CAS 102291-81-6 1,2-Diphenyl-1,2-di(p-tolyl)ethene molecular structure lightbox
CAS RN: 102291-81-6

1,2-Diphenyl-1,2-di(p-tolyl)ethene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260404 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-003553
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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 102291-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

102291-81-6 / 1-methyl-4-[2-(4-methylphenyl)-1,2-diphenylethenyl]benzene

1,2-diphenyl-1,2-di-p-tolylethene | 1,2-Bis(4-methylphenyl)-1,2-diphenylethene | SCHEMBL69744

Standard CAS: 102291-81-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102291-81-6
Multi CAS
No
Molecular Formula
C28H24
Molecular Weight
360.500000
Exact Mass
360.187801
SMILES
CC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C28H24/c1-21-13-17-25(18-14-21)27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)26-19-15-22(2)16-20-26/h3-20H,1-2H3
InChIKey
QDCDLYHZMBOWPE-UHFFFAOYSA-N
Synonyms
1,2-diphenyl-1,2-di-p-tolylethene 1,2-Bis(4-methylphenyl)-1,2-diphenylethene SCHEMBL69744 QDCDLYHZMBOWPE-UHFFFAOYSA-N SY387692

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
4
Molar refractivity
120.26
TPSA
0.0000

LogP / Solubility

WLOGP
7.31
MLOGP
6.45
XLogP3
8.7
Consensus LogP
7.49
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.27

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

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