CAS RN: 1078705-10-8
Bis (4-tert-butyl biphenyl) amine
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.20260511 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1078705-10-8
- Purity/Analytical Methods: >99.0%
1078705-10-8 / 4-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
Bis(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)amine | SCHEMBL13321302 | C32H35N
Basic Information
CAS
1078705-10-8
Multi CAS
No
Molecular Formula
C32H35N
Molecular Weight
433.600000
Exact Mass
433.276950
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C32H35N/c1-31(2,3)27-15-7-23(8-16-27)25-11-19-29(20-12-25)33-30-21-13-26(14-22-30)24-9-17-28(18-10-24)32(4,5)6/h7-22,33H,1-6H3
InChIKey
CBLPZAJZYYRZBV-UHFFFAOYSA-N
Synonyms
Bis(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)amine
SCHEMBL13321302
C32H35N
MFCD34706365
bis(4'-tert-butylbiphenyl-4-yl)amine
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
144.44
TPSA
12.03
LogP / Solubility
WLOGP
9.36
MLOGP
8.26
XLogP3
10.1
Consensus LogP
9.24
Log S (ESOL)
-8.7
Class (ESOL)
Insoluble
Log S (Ali)
-9.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.73
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.28
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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