4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane
TL;DR: 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane (CAS 2170-23-2) is a chemical compound with molecular formula C15H14BClO3 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
Also Known As: 4-[(3-chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane, Benzeneboronic acid, cyclic ((m-chlorophenoxy)methyl)ethylene ester, 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane, benzeneboronic acid cyclic [(m-chlorophenoxy)methyl]ethylene ester, 1,3-Dioxa-2-boracyclopentane, 4-((m-chlorophenoxy)methyl)-2-phenyl-
| Molecular Formula | C15H14BClO3 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.5296 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.07245 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 2170-23-2 |
|---|---|
| SMILES | B1(OCC(O1)COC2=CC(=CC=C2)Cl)C3=CC=CC=C3 |
| InChIKey | PCBYDAHNTZBILE-UHFFFAOYSA-N |
Product Overview
4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane (CAS 2170-23-2), with molecular formula C15H14BClO3 and molecular weight 288.07 g/mol. IUPAC: 4-[(3-chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane.
Chemical Property Profile of 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane
Property Insights of 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane
The XLogP value of 2.5296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane. With a topological polar surface area (TPSA) of 27.7 Ų, 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-Chlorophenoxy)methyl)-2-phenyl-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 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane?
The CAS number of 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane is 2170-23-2.
What is the molecular formula of 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane?
The molecular formula of 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane is C15H14BClO3.
What is the molecular weight of 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane?
The molecular weight of 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane is 288.07 g/mol.
Where can I buy 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane?
You can request a quote for 4-((3-Chlorophenoxy)methyl)-2-phenyl-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 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.