![CAS 1601474-19-4 [1,1′-Biphenyl]-4-amine, N-(4-bromophenyl)-2′,4′-dibutoxy-N-(2′,4′-dibutoxy[1,1′-biphenyl]-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1601474-19-4.gif)
CAS RN: 1601474-19-4
[1,1′-Biphenyl]-4-amine, N-(4-bromophenyl)-2′,4′-dibutoxy-N-(2′,4′-dibutoxy[1,1′-biphenyl]-4-yl)-
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.20260220 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1601474-19-4
- Purity/Analytical Methods: >99.0%
1601474-19-4 / N-(4-bromophenyl)-4-(2,4-dibutoxyphenyl)-N-[4-(2,4-dibutoxyphenyl)phenyl]aniline
Basic Information
CAS
1601474-19-4
Multi CAS
No
Molecular Formula
C46H54BrNO4
Molecular Weight
764.800000
Exact Mass
763.323620
SMILES
CCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=C(C=C(C=C4)OCCCC)OCCCC)C5=CC=C(C=C5)Br)OCCCC
InChI
InChI=1S/C46H54BrNO4/c1-5-9-29-49-41-25-27-43(45(33-41)51-31-11-7-3)35-13-19-38(20-14-35)48(40-23-17-37(47)18-24-40)39-21-15-36(16-22-39)44-28-26-42(50-30-10-6-2)34-46(44)52-32-12-8-4/h13-28,33-34H,5-12,29-32H2,1-4H3
InChIKey
QKMNKBZZYCIHHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
30
Fraction Csp3
0.35
Rotatable bonds
21
H-bond acceptors
5
Molar refractivity
221.31
TPSA
40.16
LogP / Solubility
WLOGP
13.97
MLOGP
12.36
XLogP3
14
Consensus LogP
13.44
Log S (ESOL)
-12.42
Class (ESOL)
Insoluble
Log S (Ali)
-15.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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