CAS RN: 742079-90-9
2(3H)-Benzofuranone, 6-bromo-
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.20250306 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS742079-90-9
- Purity/Analytical Methods: >99.0%
742079-90-9 / 6-bromo-3H-1-benzofuran-2-one
Basic Information
CAS
742079-90-9
Multi CAS
No
Molecular Formula
C8H5BRO2
Molecular Weight
213.030000
Exact Mass
211.947290
InChI
InChI=1S/C8H5BrO2/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-2,4H,3H2
InChIKey
GWQMGPYFGNRFHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
43.48
TPSA
26.3
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-2.66
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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