CAS RN: 177735-30-7
(1-Benzothiophen-4-yl)boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250728 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS177735-30-7
- Purity/Analytical Methods: >99.0%
177735-30-7 / 1-benzothiophen-4-ylboronic acid
Basic Information
CAS
177735-30-7
Multi CAS
No
Molecular Formula
C8H7BO2S
Molecular Weight
178.020000
Exact Mass
178.025981
SMILES
B(C1=C2C=CSC2=CC=C1)(O)O
InChI
InChI=1S/C8H7BO2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5,10-11H
InChIKey
CVFRBXCMTNBDBI-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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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- CAS RN: 177736-04-8
- Product Code: starshine_CAS177736-04-8
- Purity/Analytical method: >99.0%
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![CAS 177736-04-8 Benzoic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl]aMino]ethyl]-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/177736-04-8.gif)
