CAS RN: 2432878-13-0
PYR12
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.20250315 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2432878-13-0
- Purity/Analytical Methods: >99.0%
2432878-13-0 / 4-[3,6,8-tris(4-aminophenyl)-10,10c-dihydropyren-1-yl]aniline
Basic Information
CAS
2432878-13-0
Multi CAS
No
Molecular Formula
C40H32N4
Molecular Weight
568.700000
Exact Mass
568.262697
SMILES
C1C=C2C3C(=C(C=C2C4=CC=C(C=C4)N)C5=CC=C(C=C5)N)C=CC6=C(C=C(C1=C36)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N
InChI
InChI=1S/C40H32N4/c41-27-9-1-23(2-10-27)35-21-36(24-3-11-28(42)12-4-24)32-19-20-34-38(26-7-15-30(44)16-8-26)22-37(25-5-13-29(43)14-6-25)33-18-17-31(35)39(32)40(33)34/h1-19,21-22,39H,20,41-44H2
InChIKey
GKNNZVARYXIKNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
186.31
TPSA
104.08
LogP / Solubility
WLOGP
8.49
MLOGP
7.52
XLogP3
6.6
Consensus LogP
7.54
Log S (ESOL)
-8.96
Class (ESOL)
Insoluble
Log S (Ali)
-10.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.16
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
7
Customers Also Viewed
-
![CAS 2433725-51-8 2＇,3＇:5,6]benzo[1,2-c][1,2,5]thiadiazole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2＇,3＇:5,6]benzo[1,2-c][1,2,5]thiadiazole
- CAS RN: 2433725-51-8
- Product Code: starshine_CAS2433725-51-8
- Purity/Analytical method: >99.0%
-
1,2,4-Triazolo[4,3-a]pyrazine, 5-bromo-8-chloro-
- CAS RN: 2433901-33-6
- Product Code: SSC-118572
-
Cyclohexanemethanol, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, trans-
- CAS RN: 2434841-21-9
- Product Code: SSC-118608
-
2,7-Diazaspiro[3.5]nonane-2-carboxylic acid, 7-(2-propyn-1-yl)-, 1,1-dimethylethyl ester
- CAS RN: 2434850-33-4
- Product Code: SSC-118622
-
Cyclohexanecarboxylic acid, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, methyl ester, trans-
- CAS RN: 2434853-23-1
- Product Code: SSC-118624
-
5,8-Dioxa-2,11-diazaheptadecanoic acid, 17-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-12,17-dioxo-, 1,1-dimethylethyl ester
- CAS RN: 2435720-04-8
- Product Code: starshine_CAS2435720-04-8
- Purity/Analytical method: >99.0%
![CAS 2433725-51-8 2＇,3＇:5,6]benzo[1,2-c][1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2433725-51-8.gif)
![CAS 2433901-33-6 1,2,4-Triazolo[4,3-a]pyrazine, 5-bromo-8-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2433901-33-6.gif)
![CAS 2434841-21-9 Cyclohexanemethanol, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, trans- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2434841-21-9.gif)
![CAS 2434850-33-4 2,7-Diazaspiro[3.5]nonane-2-carboxylic acid, 7-(2-propyn-1-yl)-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2434850-33-4.gif)
![CAS 2434853-23-1 Cyclohexanecarboxylic acid, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, methyl ester, trans- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2434853-23-1.gif)
![CAS 2435720-04-8 5,8-Dioxa-2,11-diazaheptadecanoic acid, 17-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-12,17-dioxo-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2435720-04-8.gif)