CAS RN: 20260-22-4
1,4-Dimethyl-2,5-diphenylbenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250211 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20260-22-4
- Purity/Analytical Methods: >99.0%
20260-22-4 / 1,4-dimethyl-2,5-diphenylbenzene
Basic Information
CAS
20260-22-4
Multi CAS
No
Molecular Formula
C20H18
Molecular Weight
258.400000
Exact Mass
258.140851
SMILES
CC1=CC(=C(C=C1C2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C20H18/c1-15-13-20(18-11-7-4-8-12-18)16(2)14-19(15)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKey
TUSIRMATSRRTEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
Molar refractivity
86.79
TPSA
0.0000
LogP / Solubility
WLOGP
5.64
MLOGP
4.97
XLogP3
5.9
Consensus LogP
5.5
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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