2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid
TL;DR: 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid (CAS 121219-20-3) is a chemical compound with molecular formula C12H17BF2O3 and molecular weight 258.12387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3-difluoro-4-hexoxyphenyl)boronic acid
Also Known As: 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid, (2,3-difluoro-4-hexoxyphenyl)boronic acid, 2,3-Difluoro-4-hexyloxybenzeneboronic acid, (2,3-difluoro-4-hexoxy-phenyl)boronic Acid, 2,3-difluoro-4-(hexyloxy)phenylboronic acid
Technical Specifications
| Molecular Formula | C12H17BF2O3 |
| Molecular Weight | 258.12387 g/mol |
| XLogP | 1.6037 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.12387 Da |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
| SMILES | B(C1=C(C(=C(C=C1)OCCCCCC)F)F)(O)O |
| InChIKey | RCHOIHOUIPPIJY-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid
Property Insights of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid
The XLogP value of 1.6037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid. With a topological polar surface area (TPSA) of 49.7 Ų, 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid?
The CAS number of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid is 121219-20-3.
What is the molecular formula of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid?
The molecular formula of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid is C12H17BF2O3.
What is the molecular weight of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid?
The molecular weight of 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid is 258.12387 g/mol.
Where can I buy 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid?
You can request a quote for 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid?
Yes, CoreyChem provides custom synthesis services for 2,3-Difluoro-4-(n-hexyloxy)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.