CAS RN: 1708975-10-3
6-amino-4-((2-methoxyethyl)amino)nicotinonitrile
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.20260201 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1708975-10-3
- Purity/Analytical Methods: >99.0%
1708975-10-3 / 6-amino-4-(2-methoxyethylamino)pyridine-3-carbonitrile
Basic Information
CAS
1708975-10-3
Multi CAS
No
Molecular Formula
C9H12N4O
Molecular Weight
192.220000
Exact Mass
192.101111
SMILES
COCCNC1=CC(=NC=C1C#N)N
InChI
InChI=1S/C9H12N4O/c1-14-3-2-12-8-4-9(11)13-6-7(8)5-10/h4,6H,2-3H2,1H3,(H3,11,12,13)
InChIKey
QGKUZOVUGOISIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
53.73
TPSA
83.96
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.6
Consensus LogP
0.57
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1709823-61-9 Urea, N-[4-[7-[(2,6-difluorophenyl)methyl]-3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-5-(6-methoxy-3-pyridazinyl)-4,6-dioxo-2H-pyrazolo[3,4-d]pyrimidin-2-yl]phenyl]-N’-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1709823-61-9.gif)
![CAS 1709838-53-8 Stannane, 1,1′-[4,8-bis[5-(2-octyldodecyl)-2-thienyl]benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl]bis[1,1,1-trimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1709838-53-8.gif)
