![CAS 281678-73-7 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/281678-73-7.png)
CAS RN: 281678-73-7
5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBALDEHYDE
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.20250806 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS281678-73-7
- Purity/Analytical Methods: >99.0%
281678-73-7 / 5-bromo-2,3-dihydro-1-benzofuran-7-carbaldehyde
Basic Information
CAS
281678-73-7
Multi CAS
No
Molecular Formula
C9H7BrO2
Molecular Weight
227.050000
Exact Mass
225.962940
InChI
InChI=1S/C9H7BrO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-5H,1-2H2
InChIKey
LQCBHNHULMHKFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.73
TPSA
26.3
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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