2,3-Difluoro-4-pentylphenylboronic acid
TL;DR: 2,3-Difluoro-4-pentylphenylboronic acid (CAS 126334-36-9) is a chemical compound with molecular formula C11H15BF2O2 and molecular weight 228.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-difluoro-4-pentylphenyl)boronic acid
Also Known As: 2,3-difluoro-4-pentylphenylboronic acid, (2,3-difluoro-4-pentylphenyl)boronic acid, 2,3-difluoro-4-pentylphenylboronicacid, 4-n-Pentyl-2,3-difluorophenyl boronic acid, AA-516/31409042
| Molecular Formula | C11H15BF2O2 |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | 1.3773 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.11331 |
| Heavy Atoms | 16 |
| Complexity | 356.08295 |
Chemical Identifiers
| CAS Number | 126334-36-9 |
|---|---|
| SMILES | B(C1=C(C(=C(C=C1)CCCCC)F)F)(O)O |
Product Overview
2,3-Difluoro-4-pentylphenylboronic acid (CAS 126334-36-9), with molecular formula C11H15BF2O2 and molecular weight 228.11 g/mol. IUPAC: (2,3-difluoro-4-pentylphenyl)boronic acid.
Chemical Property Profile of 2,3-Difluoro-4-pentylphenylboronic acid
Property Insights of 2,3-Difluoro-4-pentylphenylboronic acid
The XLogP value of 1.3773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Difluoro-4-pentylphenylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2,3-Difluoro-4-pentylphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Difluoro-4-pentylphenylboronic 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 2,3-Difluoro-4-pentylphenylboronic acid?
The CAS number of 2,3-Difluoro-4-pentylphenylboronic acid is 126334-36-9.
What is the molecular formula of 2,3-Difluoro-4-pentylphenylboronic acid?
The molecular formula of 2,3-Difluoro-4-pentylphenylboronic acid is C11H15BF2O2.
What is the molecular weight of 2,3-Difluoro-4-pentylphenylboronic acid?
The molecular weight of 2,3-Difluoro-4-pentylphenylboronic acid is 228.11 g/mol.
Where can I buy 2,3-Difluoro-4-pentylphenylboronic acid?
You can request a quote for 2,3-Difluoro-4-pentylphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Difluoro-4-pentylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Difluoro-4-pentylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.