![CAS 98437-23-1 Benzo[b]thiophene-2-boronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2893-jpgcontextbwfzdgvyfhjvb3r8mzazntf8aw1hz2uvanblz3xondmvadzklzg5mjg5mdmznjq2mzgvqji4otmuanbnfgyzzthlmzm3ody0ogi4n2nmntlhyjgxnwjkoti3nza0otc1zwe2zwjknzmwndy3zddimtlknjuxn2i2owm3ywm.jpeg)
CAS RN: 98437-23-1
Benzo[b]thiophene-2-boronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock3 grade groups
- Product code: SSC-212676
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 10g, 25g, 100g, 1000g
- Available purity: >98%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 4 In Stock | Beijing | Inquiry |
| 1g | >98% | 4 In Stock | Shanghai | Inquiry |
| 10g | -- | 3 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 3 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 100g | -- | 2 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
98437-23-1 / 1-benzothiophen-2-ylboronic acid
Basic Information
CAS
98437-23-1
Multi CAS
Yes
Molecular Formula
BC8H7O2S
Molecular Weight
178.020000
Exact Mass
178.025981
InChI
InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
InChIKey
YNCYPMUJDDXIRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.65
TPSA
40.46
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
0.58
Consensus LogP
0.56
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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