2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
TL;DR: 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (CAS 635305-38-3) is a chemical compound with molecular formula C11H14BBrO2 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
Also Known As: 2-(3-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane, 1,3,2-Dioxaborinane, 2-(3-bromophenyl)-5,5-dimethyl-, 2-(3-bromophenyl)-5,5-dimethyl-[1,3,2]dioxaborinane
| Molecular Formula | C11H14BBrO2 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 2.2173 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.027 |
| Heavy Atoms | 15 |
| Complexity | 344.19608 |
Chemical Identifiers
| CAS Number | 635305-38-3 |
|---|---|
| SMILES | B1(OCC(CO1)(C)C)C2=CC(=CC=C2)Br |
Product Overview
2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (CAS 635305-38-3), with molecular formula C11H14BBrO2 and molecular weight 268.03 g/mol. IUPAC: 2-(3-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane.
Chemical Property Profile of 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
Property Insights of 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
The XLogP value of 2.2173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane. With a topological polar surface area (TPSA) of 18.46 Ų, 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane 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 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane?
The CAS number of 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane is 635305-38-3.
What is the molecular formula of 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane?
The molecular formula of 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane is C11H14BBrO2.
What is the molecular weight of 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane?
The molecular weight of 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane is 268.03 g/mol.
Where can I buy 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane?
You can request a quote for 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.