![CAS 152219-88-0 2′,5′-dimethyl-[1,1′:4′,1”-terphenyl]-4,4”-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/152219-88-0.png)
CAS RN: 152219-88-0
2′,5′-dimethyl-[1,1′:4′,1”-terphenyl]-4,4”-diamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND887093
152219-88-0 / 4-[4-(4-aminophenyl)-2,5-dimethylphenyl]aniline
Basic Information
CAS
152219-88-0
Multi CAS
No
Molecular Formula
C20H20N2
Molecular Weight
288.400000
Exact Mass
288.162649
SMILES
CC1=CC(=C(C=C1C2=CC=C(C=C2)N)C)C3=CC=C(C=C3)N
InChI
InChI=1S/C20H20N2/c1-13-11-20(16-5-9-18(22)10-6-16)14(2)12-19(13)15-3-7-17(21)8-4-15/h3-12H,21-22H2,1-2H3
InChIKey
FZGJNYKOWLSMBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.61
TPSA
52.04
LogP / Solubility
WLOGP
4.8
MLOGP
4.24
XLogP3
3.7
Consensus LogP
4.25
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- Purity/Analytical method: >97.0%(T)(HPLC)
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