CAS RN: 219736-06-8
5-bromo-6-methylbenzofuran
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.20260509 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS219736-06-8
- Purity/Analytical Methods: >99.0%
219736-06-8 / 5-bromo-6-methyl-1-benzofuran
Basic Information
CAS
219736-06-8
Multi CAS
No
Molecular Formula
C9H7BrO
Molecular Weight
211.050000
Exact Mass
209.968030
SMILES
CC1=CC2=C(C=CO2)C=C1Br
InChI
InChI=1S/C9H7BrO/c1-6-4-9-7(2-3-11-9)5-8(6)10/h2-5H,1H3
InChIKey
FOWAAUYNAZZPIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
48.65
TPSA
13.14
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
3.4
Consensus LogP
3.33
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.52
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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