CAS RN: 2522079-79-2
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.20250416 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS2522079-79-2
- Purity/Analytical Methods: >99.0%
2522079-79-2 / 4-[2,4,5-tris(4-aminophenyl)-3,6-dimethylphenyl]aniline
Basic Information
CAS
2522079-79-2
Multi CAS
No
Molecular Formula
C32H30N4
Molecular Weight
470.600000
Exact Mass
470.247047
SMILES
CC1=C(C(=C(C(=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N
InChI
InChI=1S/C32H30N4/c1-19-29(21-3-11-25(33)12-4-21)31(23-7-15-27(35)16-8-23)20(2)32(24-9-17-28(36)18-10-24)30(19)22-5-13-26(34)14-6-22/h3-18H,33-36H2,1-2H3
InChIKey
QONNRTKBIUWCSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
155.31
TPSA
104.08
LogP / Solubility
WLOGP
7.3
MLOGP
6.46
XLogP3
6.4
Consensus LogP
6.72
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2523006-58-6
- Product Code: starshine_CAS2523006-58-6
- Purity/Analytical method: >99.0%
-
-
-
4′,4”’,4””’,4”””’,4””””’,4”””””’-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexakis([1,1′-biphenyl]-4-carboxylic acid)
- CAS RN: 2524700-15-8
- Product Code: starshine_CAS2524700-15-8
- Purity/Analytical method: >99.0%
-
7,9-Bis(2,6-diethylphenyl)-7H-acenaphtho[1,2-d]imidazol-9-ium chloride
- CAS RN: 2540595-72-8
- Product Code: starshine_CAS2540595-72-8
- Purity/Analytical method: >99.0%
-
1H-Indole-2-carboxamide, 6-fluoro-N-[6-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]-2-pyridinyl]-
- CAS RN: 2541792-70-3
- Product Code: SSC-121364
![CAS 2524700-15-8 4′,4”’,4””’,4”””’,4””””’,4”””””’-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexakis([1,1′-biphenyl]-4-carboxylic acid) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2524700-15-8.gif)
![CAS 2540595-72-8 7,9-Bis(2,6-diethylphenyl)-7H-acenaphtho[1,2-d]imidazol-9-ium chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2540595-72-8.gif)
![CAS 2541792-70-3 1H-Indole-2-carboxamide, 6-fluoro-N-[6-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]-2-pyridinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2541792-70-3.gif)