CAS RN: 53119-61-2
2-Bromo-3-ethylthiophene
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.20260219 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53119-61-2
- Purity/Analytical Methods: >99.0%
53119-61-2 / 2-bromo-3-ethylthiophene
Basic Information
CAS
53119-61-2
Multi CAS
No
Molecular Formula
C6H7BRS
Molecular Weight
191.090000
Exact Mass
189.945180
InChI
InChI=1S/C6H7BrS/c1-2-5-3-4-8-6(5)7/h3-4H,2H2,1H3
InChIKey
MPTKQBAGXQUSMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.4
TPSA
28.2000
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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