CAS RN: 1257704-57-6
CEP 33779
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock3 grade groups
- Product code: starshine_CAS1257704-57-6
- Purity/Analytical Methods: >99.0%
1257704-57-6 / N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Basic Information
CAS
1257704-57-6
Multi CAS
No
Molecular Formula
C24H26N6O2S
Molecular Weight
462.600000
Exact Mass
462.183795
SMILES
CN1CCN(CC1)C2=CC=CC(=C2)NC3=NN4C=CC=C(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C
InChI
InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
InChIKey
RFZKSQIFOZZIAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
130.97
TPSA
82.84
LogP / Solubility
WLOGP
3.3
MLOGP
2.93
XLogP3
3.4
Consensus LogP
3.21
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1257705-04-6 8-Bromo-2-chloro-[1,2,4]triazolo[1,5-a]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
8-Bromo-2-chloro-[1,2,4]triazolo[1,5-a]pyridine
- CAS RN: 1257705-04-6
- Product Code: starshine_CAS1257705-04-6
- Purity/Analytical method: >99.0%
-
[1,2,4]Triazolo[1,5-a]pyridin-2-amine, 5-[4-[(1,1-dioxido-4-thiomorpholinyl)methyl]phenyl]-
- CAS RN: 1257705-09-1
- Product Code: starshine_CAS1257705-09-1
- Purity/Analytical method: >99.0%
-
8-Bromo-6-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
- CAS RN: 1257705-46-6
- Product Code: SSC-031066
-
8-Bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
- CAS RN: 1257705-51-3
- Product Code: SSC-031067
-
3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile
- CAS RN: 1257738-14-9
- Product Code: SSC-031070
-
2-Cyanophenylboronic acid MIDA ester
- CAS RN: 1257739-16-4
- Product Code: starshine_CAS1257739-16-4
- Purity/Analytical method: >99.0%
![CAS 1257705-04-6 8-Bromo-2-chloro-[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257705-04-6.gif)
![CAS 1257705-09-1 [1,2,4]Triazolo[1,5-a]pyridin-2-amine, 5-[4-[(1,1-dioxido-4-thiomorpholinyl)methyl]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257705-09-1.gif)
![CAS 1257705-46-6 8-Bromo-6-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257705-46-6.gif)
![CAS 1257705-51-3 8-Bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257705-51-3.gif)
