CAS RN: 65530-53-2
2-Furfurylthio-3-methylpyrazine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250123 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong | 1 business days | Inquiry |
- Product code: starshine_CAS65530-53-2
- Purity/Analytical Methods: >99.0%
65530-53-2 / 2-(furan-2-ylmethylsulfanyl)-3-methylpyrazine
Basic Information
CAS
65530-53-2
Multi CAS
No
Molecular Formula
C10H10N2OS
Molecular Weight
206.270000
Exact Mass
206.051384
InChI
InChI=1S/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3
InChIKey
PFRSWMCUERVSAT-UHFFFAOYSA-N
Physical Properties
Density
1.138-1.148 (20°)
Physical Description
Colourless to pale yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
55.04
TPSA
38.92
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
1.6
Consensus LogP
2.21
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.08
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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