![CAS 184650-02-0 [1,1′:3′,1”-Terphenyl]-3,3”-diamine, 5′-(3-aminophenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/184650-02-0.gif)
CAS RN: 184650-02-0
[1,1′:3′,1”-Terphenyl]-3,3”-diamine, 5′-(3-aminophenyl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250821 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS184650-02-0
- Purity/Analytical Methods: >99.0%
184650-02-0 / 3-[3,5-bis(3-aminophenyl)phenyl]aniline
Basic Information
CAS
184650-02-0
Multi CAS
No
Molecular Formula
C24H21N3
Molecular Weight
351.400000
Exact Mass
351.173548
SMILES
C1=CC(=CC(=C1)N)C2=CC(=CC(=C2)C3=CC(=CC=C3)N)C4=CC(=CC=C4)N
InChI
InChI=1S/C24H21N3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H,25-27H2
InChIKey
NMBMQQDNMNJFPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
115.99
TPSA
78.06
LogP / Solubility
WLOGP
5.43
MLOGP
4.8
XLogP3
4.8
Consensus LogP
5.01
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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