CAS RN: 845872-49-3
1-Benzothien-5-ylboronic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260521 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250408 | 100mg / 250mg / 1g / 5g | Out of stock | 3-5 business days | Inquiry | |
| Batchno.20250407 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250215 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250903 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS845872-49-3
- Purity/Analytical Methods: >99.0%
845872-49-3 / 1-benzothiophen-5-ylboronic acid
Basic Information
CAS
845872-49-3
Multi CAS
No
Molecular Formula
BC8H7O2S
Molecular Weight
178.020000
Exact Mass
178.025981
InChI
InChI=1S/C8H7BO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,10-11H
InChIKey
LVRZWFSXTOTWTH-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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