trans-2-(4-Methoxyphenyl)vinylboronic acid
TL;DR: trans-2-(4-Methoxyphenyl)vinylboronic acid (CAS 214907-25-2) is a chemical compound with molecular formula C9H11BO3 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-(4-methoxyphenyl)ethenyl]boronic acid
Also Known As: (E)-(4-Methoxystyryl)boronic acid, trans-2-(4-Methoxyphenyl)vinylboronic acid, (E)-4-Methoxystyrylboronic acid, (4-Methoxystyryl)boronic acid, 4-Methoxystyrylboronic Acid
| Molecular Formula | C9H11BO3 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 0.7204 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.08012 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 214907-25-2 |
|---|---|
| SMILES | B(/C=C/C1=CC=C(C=C1)OC)(O)O |
| InChIKey | LGSBCAPDUJYMOQ-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-(4-Methoxyphenyl)vinylboronic acid (CAS 214907-25-2), with molecular formula C9H11BO3 and molecular weight 178.08 g/mol. IUPAC: [(E)-2-(4-methoxyphenyl)ethenyl]boronic acid.
Chemical Property Profile of trans-2-(4-Methoxyphenyl)vinylboronic acid
Property Insights of trans-2-(4-Methoxyphenyl)vinylboronic acid
The XLogP value of 0.7204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-(4-Methoxyphenyl)vinylboronic acid. With a topological polar surface area (TPSA) of 49.7 Ų, trans-2-(4-Methoxyphenyl)vinylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-(4-Methoxyphenyl)vinylboronic 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 trans-2-(4-Methoxyphenyl)vinylboronic acid?
The CAS number of trans-2-(4-Methoxyphenyl)vinylboronic acid is 214907-25-2.
What is the molecular formula of trans-2-(4-Methoxyphenyl)vinylboronic acid?
The molecular formula of trans-2-(4-Methoxyphenyl)vinylboronic acid is C9H11BO3.
What is the molecular weight of trans-2-(4-Methoxyphenyl)vinylboronic acid?
The molecular weight of trans-2-(4-Methoxyphenyl)vinylboronic acid is 178.08 g/mol.
Where can I buy trans-2-(4-Methoxyphenyl)vinylboronic acid?
You can request a quote for trans-2-(4-Methoxyphenyl)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-Methoxyphenyl)vinylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-2-(4-Methoxyphenyl)vinylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.