![CAS 2412270-22-3 Acetamide, N-[4-(6-chloro-2-quinoxalinyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2412270-22-3.gif)
CAS RN: 2412270-22-3
Acetamide, N-[4-(6-chloro-2-quinoxalinyl)phenyl]-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260416 | 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2412270-22-3
- Purity/Analytical Methods: >99.0%
2412270-22-3 / N-[4-(6-chloroquinoxalin-2-yl)phenyl]acetamide
Basic Information
CAS
2412270-22-3
Multi CAS
No
Molecular Formula
C16H12ClN3O
Molecular Weight
297.740000
Exact Mass
297.066890
SMILES
CC(=O)NC1=CC=C(C=C1)C2=CN=C3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C16H12ClN3O/c1-10(21)19-13-5-2-11(3-6-13)16-9-18-15-8-12(17)4-7-14(15)20-16/h2-9H,1H3,(H,19,21)
InChIKey
ZQXMPDVGBWOTBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.29
TPSA
54.88
LogP / Solubility
WLOGP
3.91
MLOGP
3.45
XLogP3
2.7
Consensus LogP
3.35
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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