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CAS 1868146-05-7 4-(3,5-Dimethylphenyl)-2,6-di-p-tolylpyridine molecular structure lightbox
CAS RN: 1868146-05-7

4-(3,5-Dimethylphenyl)-2,6-di-p-tolylpyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-086832
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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 1868146-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1868146-05-7 / 4-(3,5-dimethylphenyl)-2,6-bis(4-methylphenyl)pyridine

Standard CAS: 1868146-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1868146-05-7
Multi CAS
No
Molecular Formula
C27H25N
Molecular Weight
363.500000
Exact Mass
363.198700
SMILES
CC1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)C)C4=CC(=CC(=C4)C)C
InChI
InChI=1S/C27H25N/c1-18-5-9-22(10-6-18)26-16-25(24-14-20(3)13-21(4)15-24)17-27(28-26)23-11-7-19(2)8-12-23/h5-17H,1-4H3
InChIKey
IMDFCYDFGAVFAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
119.49
TPSA
12.89

LogP / Solubility

WLOGP
7.32
MLOGP
6.46
XLogP3
7.3
Consensus LogP
7.03
Log S (ESOL)
-7.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
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)
0.26

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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