![CAS 1112982-76-9 N-(5-BroMothiazolo[5,4-b]pyridin-2-yl)acetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1112982-76-9.gif)
CAS RN: 1112982-76-9
N-(5-BroMothiazolo[5,4-b]pyridin-2-yl)acetaMide
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.20260109 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1112982-76-9
- Purity/Analytical Methods: >99.0%
1112982-76-9 / N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide
N-(5-Bromothiazolo[5,4-b]pyridin-2-yl)acetamide | C8H6BrN3OS | MFCD18205971
Basic Information
CAS
1112982-76-9
Multi CAS
Yes
Molecular Formula
C8H6BrN3OS
Molecular Weight
272.120000
Exact Mass
270.941500
SMILES
CC(=O)NC1=NC2=C(S1)N=C(C=C2)Br
InChI
InChI=1S/C8H6BrN3OS/c1-4(13)10-8-11-5-2-3-6(9)12-7(5)14-8/h2-3H,1H3,(H,10,11,13)
InChIKey
JHGFPKWDFAFFFO-UHFFFAOYSA-N
Synonyms
N-(5-Bromothiazolo[5,4-b]pyridin-2-yl)acetamide
C8H6BrN3OS
MFCD18205971
N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide
N-{5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl}acetamide
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.42
TPSA
54.88
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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