![CAS 737802-12-9 6-bromo-2,3-dihydrobenzo[b]thiophen-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/737802-12-9.gif)
CAS RN: 737802-12-9
6-bromo-2,3-dihydrobenzo[b]thiophen-3-ol
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.20251101 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS737802-12-9
- Purity/Analytical Methods: >99.0%
737802-12-9 / 4-bromo-2,3-dihydro-1-benzothiophen-3-ol
Basic Information
CAS
737802-12-9
Multi CAS
No
Molecular Formula
C8H7BROS
Molecular Weight
231.110000
Exact Mass
229.940100
InChI
InChI=1S/C8H7BrOS/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-3,6,10H,4H2
InChIKey
QFPXQCCCVFBJOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.83
TPSA
20.23
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2
Consensus LogP
2.29
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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