3-Bromo-2-propoxyphenylboronic acid
TL;DR: 3-Bromo-2-propoxyphenylboronic acid (CAS 84878-07-9) is a chemical compound with molecular formula C9H12BBrO3 and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-2-propoxyphenyl)boronic acid
Also Known As: 3-Bromo-2-propoxyphenylboronic acid, (3-bromo-2-propoxyphenyl)boronic acid, (3-bromo-2-propoxy-phenyl)boronic Acid, (3-bromo-2-propoxyphenyl)boronicacid, Boronic acid,B-(3-bromo-2-propoxyphenyl)-
| Molecular Formula | C9H12BBrO3 |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | 0.9177 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0063 |
| Heavy Atoms | 14 |
| Complexity | 304.10858 |
Chemical Identifiers
| CAS Number | 84878-07-9 |
|---|---|
| SMILES | B(C1=C(C(=CC=C1)Br)OCCC)(O)O |
Product Overview
3-Bromo-2-propoxyphenylboronic acid (CAS 84878-07-9), with molecular formula C9H12BBrO3 and molecular weight 258.01 g/mol. IUPAC: (3-bromo-2-propoxyphenyl)boronic acid.
Chemical Property Profile of 3-Bromo-2-propoxyphenylboronic acid
Property Insights of 3-Bromo-2-propoxyphenylboronic acid
The XLogP value of 0.9177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-propoxyphenylboronic acid. With a topological polar surface area (TPSA) of 49.69 Ų, 3-Bromo-2-propoxyphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-propoxyphenylboronic 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 3-Bromo-2-propoxyphenylboronic acid?
The CAS number of 3-Bromo-2-propoxyphenylboronic acid is 84878-07-9.
What is the molecular formula of 3-Bromo-2-propoxyphenylboronic acid?
The molecular formula of 3-Bromo-2-propoxyphenylboronic acid is C9H12BBrO3.
What is the molecular weight of 3-Bromo-2-propoxyphenylboronic acid?
The molecular weight of 3-Bromo-2-propoxyphenylboronic acid is 258.01 g/mol.
Where can I buy 3-Bromo-2-propoxyphenylboronic acid?
You can request a quote for 3-Bromo-2-propoxyphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-propoxyphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-propoxyphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.