![CAS 207805-24-1 Thieno[3,4-b]pyrazine, 5,7-dibroMo- (Related Reference) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/207805-24-1.gif)
CAS RN: 207805-24-1
Thieno[3,4-b]pyrazine, 5,7-dibroMo- (Related Reference)
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.20260103 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS207805-24-1
- Purity/Analytical Methods: >99.0%
207805-24-1 / 5,7-dibromothieno[3,4-b]pyrazine
Basic Information
CAS
207805-24-1
Multi CAS
No
Molecular Formula
C6H2Br2N2S
Molecular Weight
293.970000
Exact Mass
293.828500
SMILES
C1=NC2=C(SC(=C2N=C1)Br)Br
InChI
InChI=1S/C6H2Br2N2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H
InChIKey
AIIVDZFQFBEWIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
52.82
TPSA
25.78
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
2.9
Consensus LogP
2.99
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
