4-Bromo-1-butylboronic acid catechol ester
TL;DR: 4-Bromo-1-butylboronic acid catechol ester (CAS 142172-51-8) is a chemical compound with molecular formula C10H12BBrO2 and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobutyl)-1,3,2-benzodioxaborole
Also Known As: 2-(4-Bromobutyl)-1,3,2-benzodioxaborole, 2-(4-Bromobutyl)benzo[d][1,3,2]dioxaborole, 4-Bromo-1-butylboronic acid catechol ester, 1,3,2-Benzodioxaborole, 2-(4-bromobutyl)-, 2-(4-bromobutyl)-2H-1,3,2-benzodioxaborole
| Molecular Formula | C10H12BBrO2 |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 3.1211 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.01137 |
| Heavy Atoms | 14 |
| Complexity | 280.9284 |
Chemical Identifiers
| CAS Number | 142172-51-8 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2O1)CCCCBr |
Product Overview
4-Bromo-1-butylboronic acid catechol ester (CAS 142172-51-8), with molecular formula C10H12BBrO2 and molecular weight 254.01 g/mol. IUPAC: 2-(4-bromobutyl)-1,3,2-benzodioxaborole.
Chemical Property Profile of 4-Bromo-1-butylboronic acid catechol ester
Property Insights of 4-Bromo-1-butylboronic acid catechol ester
The XLogP value of 3.1211 indicates that 4-Bromo-1-butylboronic acid catechol ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 4-Bromo-1-butylboronic acid catechol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-butylboronic acid catechol ester has 0 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 4-Bromo-1-butylboronic acid catechol ester?
The CAS number of 4-Bromo-1-butylboronic acid catechol ester is 142172-51-8.
What is the molecular formula of 4-Bromo-1-butylboronic acid catechol ester?
The molecular formula of 4-Bromo-1-butylboronic acid catechol ester is C10H12BBrO2.
What is the molecular weight of 4-Bromo-1-butylboronic acid catechol ester?
The molecular weight of 4-Bromo-1-butylboronic acid catechol ester is 254.01 g/mol.
Where can I buy 4-Bromo-1-butylboronic acid catechol ester?
You can request a quote for 4-Bromo-1-butylboronic acid catechol ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-butylboronic acid catechol ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-butylboronic acid catechol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.