![CAS 2172856-38-9 Benzenamine,4-(1H-pyrazol-4-yl)-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172856-38-9.png)
CAS RN: 2172856-38-9
Benzenamine,4-(1H-pyrazol-4-yl)-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2172856-38-9
- Purity/Analytical Methods: >99.0%
2172856-38-9 / 4-(1H-pyrazol-4-yl)-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]aniline
Basic Information
CAS
2172856-38-9
Multi CAS
No
Molecular Formula
C27H21N7
Molecular Weight
443.500000
Exact Mass
443.185844
SMILES
C1=CC(=CC=C1C2=CNN=C2)N(C3=CC=C(C=C3)C4=CNN=C4)C5=CC=C(C=C5)C6=CNN=C6
InChI
InChI=1S/C27H21N7/c1-7-25(8-2-19(1)22-13-28-29-14-22)34(26-9-3-20(4-10-26)23-15-30-31-16-23)27-11-5-21(6-12-27)24-17-32-33-18-24/h1-18H,(H,28,29)(H,30,31)(H,32,33)
InChIKey
XWXFMPUBRNIMGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
133.87
TPSA
89.28
LogP / Solubility
WLOGP
6.33
MLOGP
5.6
XLogP3
4.9
Consensus LogP
5.61
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
![CAS 2172870-89-0 Benzonitrile, 3-[4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxy- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzonitrile, 3-[4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxy-
- CAS RN: 2172870-89-0
- Product Code: starshine_CAS2172870-89-0
- Purity/Analytical method: >99.0%
-
-
Quinoline, 2-[(4R,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-
- CAS RN: 2172908-07-3
- Product Code: SSC-104794
-
-
“2′,5′-bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-[1,1′:4′,1″”-terphenyl]-4,4″”-diamine”
- CAS RN: 2172944-61-3
- Product Code: starshine_CAS2172944-61-3
- Purity/Analytical method: >99.0%
-
(3S)-3-(propan-2-yl)pyrrolidine hydrochloride
- CAS RN: 2173052-12-3
- Product Code: SSC-104805
![CAS 2172870-89-0 Benzonitrile, 3-[4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172870-89-0.png)
![CAS 2172908-07-3 Quinoline, 2-[(4R,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172908-07-3.png)
![CAS 2172929-14-3 Benzo[b]naphtho[2,1-d]furan,7-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172929-14-3.png)
![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)
