trans-2-(4-Chlorophenyl)vinylboronic acid
TL;DR: trans-2-(4-Chlorophenyl)vinylboronic acid (CAS 214907-27-4) is a chemical compound with molecular formula C8H8BClO2 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-(4-chlorophenyl)ethenyl]boronic acid
Also Known As: trans-2-(4-Chlorophenyl)vinylboronic acid, (4-Chlorostyryl)boronic acid, (E)-(4-chlorostyryl)boronic acid, rarechem al ba 0169, 4-Chlorostyrylboronic acid
| Molecular Formula | C8H8BClO2 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.3652 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0306 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 214907-27-4 |
|---|---|
| SMILES | B(/C=C/C1=CC=C(C=C1)Cl)(O)O |
| InChIKey | HWSDRAPTZRYXHN-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-(4-Chlorophenyl)vinylboronic acid (CAS 214907-27-4), with molecular formula C8H8BClO2 and molecular weight 182.03 g/mol. IUPAC: [(E)-2-(4-chlorophenyl)ethenyl]boronic acid.
Chemical Property Profile of trans-2-(4-Chlorophenyl)vinylboronic acid
Property Insights of trans-2-(4-Chlorophenyl)vinylboronic acid
The XLogP value of 1.3652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-(4-Chlorophenyl)vinylboronic acid. With a topological polar surface area (TPSA) of 40.5 Ų, trans-2-(4-Chlorophenyl)vinylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-(4-Chlorophenyl)vinylboronic acid has 2 hydrogen bond donor(s) and 2 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 trans-2-(4-Chlorophenyl)vinylboronic acid?
The CAS number of trans-2-(4-Chlorophenyl)vinylboronic acid is 214907-27-4.
What is the molecular formula of trans-2-(4-Chlorophenyl)vinylboronic acid?
The molecular formula of trans-2-(4-Chlorophenyl)vinylboronic acid is C8H8BClO2.
What is the molecular weight of trans-2-(4-Chlorophenyl)vinylboronic acid?
The molecular weight of trans-2-(4-Chlorophenyl)vinylboronic acid is 182.03 g/mol.
Where can I buy trans-2-(4-Chlorophenyl)vinylboronic acid?
You can request a quote for trans-2-(4-Chlorophenyl)vinylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-(4-Chlorophenyl)vinylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-2-(4-Chlorophenyl)vinylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.