CAS RN: 156021-08-8
4-Methyl-2,5-diphenylpyridine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-065204
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
156021-08-8 / 4-methyl-2,5-diphenylpyridine
Basic Information
CAS
156021-08-8
Multi CAS
No
Molecular Formula
C18H15N
Molecular Weight
245.300000
Exact Mass
245.120449
SMILES
CC1=CC(=NC=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H15N/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15/h2-13H,1H3
InChIKey
YHQCNNMCDMYPIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
79.85
TPSA
12.89
LogP / Solubility
WLOGP
4.72
MLOGP
4.16
XLogP3
4.5
Consensus LogP
4.46
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
