![CAS 5324-31-2 N4,N4′-Dibutyl-[1,1′-biphenyl]-4,4′-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/5324-31-2.png)
CAS RN: 5324-31-2
N4,N4′-Dibutyl-[1,1′-biphenyl]-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.20251208 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINN907250
5324-31-2 / N-butyl-4-[4-(butylamino)phenyl]aniline
Basic Information
CAS
5324-31-2
Multi CAS
Yes
Molecular Formula
C20H28N2
Molecular Weight
296.400000
Exact Mass
296.225249
InChI
InChI=1S/C20H28N2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14,21-22H,3-6,15-16H2,1-2H3
InChIKey
XOOFDEBQVMSCPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
98.67
TPSA
24.06
LogP / Solubility
WLOGP
5.78
MLOGP
5.1
XLogP3
6
Consensus LogP
5.63
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
