![CAS 2172944-61-3 “2′,5′-bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-[1,1′:4′,1″”-terphenyl]-4,4″”-diamine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172944-61-3.png)
CAS RN: 2172944-61-3
“2′,5′-bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-[1,1′:4′,1″”-terphenyl]-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.20250416 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2172944-61-3
- Purity/Analytical Methods: >99.0%
2172944-61-3 / 4-[4-(4-aminophenyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]aniline
Basic Information
CAS
2172944-61-3
Multi CAS
No
Molecular Formula
C32H44N2O8
Molecular Weight
584.700000
Exact Mass
584.309766
SMILES
COCCOCCOCCOC1=CC(=C(C=C1C2=CC=C(C=C2)N)OCCOCCOCCOC)C3=CC=C(C=C3)N
InChI
InChI=1S/C32H44N2O8/c1-35-11-13-37-15-17-39-19-21-41-31-23-30(26-5-9-28(34)10-6-26)32(24-29(31)25-3-7-27(33)8-4-25)42-22-20-40-18-16-38-14-12-36-2/h3-10,23-24H,11-22,33-34H2,1-2H3
InChIKey
QOFGOQYCLQHYJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
22
H-bond acceptors
10
H-bond donors
2
Molar refractivity
164.16
TPSA
125.88
LogP / Solubility
WLOGP
4.3
MLOGP
3.83
XLogP3
2.9
Consensus LogP
3.68
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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