CAS RN: 1023558-03-3
Quinoxaline, 2-methyl-3-(2-thienyl)-
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.20260626 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1023558-03-3
- Purity/Analytical Methods: >99.0%
1023558-03-3 / 2-methyl-3-thiophen-2-ylquinoxaline
2-Methyl-3-(thiophen-2-yl)quinoxaline | 2-methyl-3-thiophen-2-ylquinoxaline | SCHEMBL16519335
Basic Information
CAS
1023558-03-3
Multi CAS
No
Molecular Formula
C13H10N2S
Molecular Weight
226.300000
Exact Mass
226.056470
SMILES
CC1=NC2=CC=CC=C2N=C1C3=CC=CS3
InChI
InChI=1S/C13H10N2S/c1-9-13(12-7-4-8-16-12)15-11-6-3-2-5-10(11)14-9/h2-8H,1H3
InChIKey
ZXZRMFGGDBQQRR-UHFFFAOYSA-N
Synonyms
2-Methyl-3-(thiophen-2-yl)quinoxaline
2-methyl-3-thiophen-2-ylquinoxaline
SCHEMBL16519335
2-methyl-3-(2-thienyl)quinoxaline
MFCD00113513
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
67.59
TPSA
25.78
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
3
Consensus LogP
3.3
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.5
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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