CAS RN: 64532-10-1
3-(2-Thienyl)-2(1H)-quinoxalinone
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.20260124 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS64532-10-1
- Purity/Analytical Methods: >99.0%
64532-10-1 / 3-thiophen-2-yl-1H-quinoxalin-2-one
Basic Information
CAS
64532-10-1
Multi CAS
No
Molecular Formula
C12H8N2OS
Molecular Weight
228.270000
Exact Mass
228.035734
InChI
InChI=1S/C12H8N2OS/c15-12-11(10-6-3-7-16-10)13-8-4-1-2-5-9(8)14-12/h1-7H,(H,14,15)
InChIKey
PWIKCZVHLJFOFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.68
TPSA
45.75
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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