2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TL;DR: 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 754226-34-1) is a chemical compound with molecular formula C13H18BFO3 and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Also Known As: 2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-fluoro-4-methoxyphenylboronic acid, pinacol ester, 3-Fluoro-4-methoxyphenylboronic acid pinacol ester, 2-(3-Fluoro-4-methoxyphenyl)4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-Fluoro-4-methoxyphenylboronic acid,pinacol ester
| Molecular Formula | C13H18BFO3 |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.1335 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.1333 |
| Heavy Atoms | 18 |
| Complexity | 443.54962 |
Chemical Identifiers
| CAS Number | 754226-34-1 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)F |
Product Overview
2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 754226-34-1), with molecular formula C13H18BFO3 and molecular weight 252.13 g/mol. IUPAC: 2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
Chemical Property Profile of 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Property Insights of 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
The XLogP value of 2.1335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With a topological polar surface area (TPSA) of 27.69 Ų, 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has 0 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 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The CAS number of 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is 754226-34-1.
What is the molecular formula of 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The molecular formula of 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C13H18BFO3.
What is the molecular weight of 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The molecular weight of 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is 252.13 g/mol.
Where can I buy 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
You can request a quote for 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.