CAS RN: 20172-97-8
N,N’-Di-2-pyridinylethanediamide
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.20251022 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20172-97-8
- Purity/Analytical Methods: >99.0%
20172-97-8 / N,N'-dipyridin-2-yloxamide
Basic Information
CAS
20172-97-8
Multi CAS
No
Molecular Formula
C12H10N4O2
Molecular Weight
242.230000
Exact Mass
242.080376
SMILES
C1=CC=NC(=C1)NC(=O)C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C12H10N4O2/c17-11(15-9-5-1-3-7-13-9)12(18)16-10-6-2-4-8-14-10/h1-8H,(H,13,15,17)(H,14,16,18)
InChIKey
AEGDXMYEDPEYCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.73
TPSA
83.98
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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