![CAS 5381-23-7 2-BROMO-3-METHYL-BENZO[B]THIOPHENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5381-23-7.gif)
CAS RN: 5381-23-7
2-BROMO-3-METHYL-BENZO[B]THIOPHENE
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.20260415 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5381-23-7
- Purity/Analytical Methods: >99.0%
5381-23-7 / 2-bromo-3-methyl-1-benzothiophene
Basic Information
CAS
5381-23-7
Multi CAS
No
Molecular Formula
C9H7BRS
Molecular Weight
227.120000
Exact Mass
225.945180
InChI
InChI=1S/C9H7BrS/c1-6-7-4-2-3-5-8(7)11-9(6)10/h2-5H,1H3
InChIKey
FVZQSQFVPWPSMG-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
54.26
TPSA
28.2000
LogP / Solubility
WLOGP
3.97
MLOGP
3.5
XLogP3
4.3
Consensus LogP
3.92
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 5381-24-8 3-Hydroxymetnylbenzo[b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5381-24-8.gif)
