![CAS 19437-86-6 2-(4-Bromophenyl)benzo[b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5016-jpgcontextbwfzdgvyfhjvb3r8mjk1ntf8aw1hz2uvanblz3xomguvadgzlzg5mjkxndgwnzywnjivqjuwmtyuanbnfgvlywzjogixnmu4zdcyndk0owy1mdk5otc2zmm2mdvhnja4mdzmzdiwndfkzjq0ogvmyzvkmzczyjuxowm4ytq.jpeg)
CAS RN: 19437-86-6
2-(4-Bromophenyl)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.20250509 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-091742
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
19437-86-6 / 2-(4-bromophenyl)-1-benzothiophene
Basic Information
CAS
19437-86-6
Multi CAS
No
Molecular Formula
C14H9BrS
Molecular Weight
289.190000
Exact Mass
287.960830
SMILES
C1=CC=C2C(=C1)C=C(S2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H9BrS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKey
IJDKRWVYXSAROY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.96
TPSA
28.2000
LogP / Solubility
WLOGP
5.33
MLOGP
4.7
XLogP3
5.3
Consensus LogP
5.11
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
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)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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