(1-Benzothiophen-3-yl)boronic acid
TL;DR: (1-Benzothiophen-3-yl)boronic acid (CAS 579476-63-4) is a chemical compound with molecular formula C8H7BO2S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophen-3-ylboronic acid
Also Known As: Benzothiophene-3-boronic acid, benzo[b]thiophen-3-ylboronic acid, 1-benzothiophen-3-ylboronic acid, Benzo[b]thien-3-ylboronic acid, Benzo[b]thiophene-3-boronic acid
| Molecular Formula | C8H7BO2S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.5811 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02599 |
| Heavy Atoms | 12 |
| Complexity | 396.61212 |
Chemical Identifiers
| CAS Number | 579476-63-4 |
|---|---|
| SMILES | B(C1=CSC2=CC=CC=C12)(O)O |
Product Overview
(1-Benzothiophen-3-yl)boronic acid (CAS 579476-63-4), with molecular formula C8H7BO2S and molecular weight 178.03 g/mol. IUPAC: 1-benzothiophen-3-ylboronic acid.
Chemical Property Profile of (1-Benzothiophen-3-yl)boronic acid
Property Insights of (1-Benzothiophen-3-yl)boronic acid
The XLogP value of 0.5811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Benzothiophen-3-yl)boronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, (1-Benzothiophen-3-yl)boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Benzothiophen-3-yl)boronic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-Benzothiophen-3-yl)boronic acid?
The CAS number of (1-Benzothiophen-3-yl)boronic acid is 579476-63-4.
What is the molecular formula of (1-Benzothiophen-3-yl)boronic acid?
The molecular formula of (1-Benzothiophen-3-yl)boronic acid is C8H7BO2S.
What is the molecular weight of (1-Benzothiophen-3-yl)boronic acid?
The molecular weight of (1-Benzothiophen-3-yl)boronic acid is 178.03 g/mol.
Where can I buy (1-Benzothiophen-3-yl)boronic acid?
You can request a quote for (1-Benzothiophen-3-yl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Benzothiophen-3-yl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (1-Benzothiophen-3-yl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.