CAS RN: 2607105-89-3
INDEX NAME NOT YET ASSIGNED
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250204 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS2607105-89-3
- Purity/Analytical Methods: >99.0%
2607105-89-3 / 4-[4-[4-(4-aminophenyl)-N-[4-(4-aminophenyl)phenyl]anilino]phenyl]aniline
Basic Information
CAS
2607105-89-3
Multi CAS
No
Molecular Formula
C36H30N4
Molecular Weight
518.600000
Exact Mass
518.247047
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)C6=CC=C(C=C6)N)N
InChI
InChI=1S/C36H30N4/c37-31-13-1-25(2-14-31)28-7-19-34(20-8-28)40(35-21-9-29(10-22-35)26-3-15-32(38)16-4-26)36-23-11-30(12-24-36)27-5-17-33(39)18-6-27/h1-24H,37-39H2
InChIKey
DJAVGLSMAXSAJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
170.67
TPSA
81.3
LogP / Solubility
WLOGP
8.9
MLOGP
7.87
XLogP3
8
Consensus LogP
8.26
Log S (ESOL)
-8.94
Class (ESOL)
Insoluble
Log S (Ali)
-10.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.44
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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