![CAS 1206170-62-8 4-[[4-Amino-5-cyano-6-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206170-62-8.gif)
CAS RN: 1206170-62-8
4-[[4-Amino-5-cyano-6-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide
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.20250920 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1206170-62-8
- Purity/Analytical Methods: >99.0%
1206170-62-8 / 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide
TC-Mps1-12 | TC Mps1 12 | 4-[[4-Amino-5-cyano-6-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide
Basic Information
CAS
1206170-62-8
Multi CAS
No
Molecular Formula
C17H20N6O
Molecular Weight
324.400000
Exact Mass
324.169859
SMILES
CC(C)(C)NC1=C(C(=CC(=N1)NC2=CC=C(C=C2)C(=O)N)N)C#N
InChI
InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
InChIKey
XDEFNAWAKYQBQY-UHFFFAOYSA-N
Synonyms
TC-Mps1-12
TC Mps1 12
4-[[4-Amino-5-cyano-6-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide
CHEMBL2089255
4-[[4-Azanyl-6-(~{tert}-Butylamino)-5-Cyano-Pyridin-2-Yl]amino]benzamide
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
94.98
TPSA
129.85
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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