Diethyl phenylboronate
TL;DR: Diethyl phenylboronate (CAS 31044-59-4) is a chemical compound with molecular formula C10H15BO2 and molecular weight 178.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy(phenyl)borane
Also Known As: diethyl phenylboronate, diethoxy(phenyl)borane, Diethoxy-phenyl-borane, starbld0026501, diethylphenyl boronic acid
| Molecular Formula | C10H15BO2 |
|---|---|
| Molecular Weight | 178.12 g/mol |
| LogP | 1.4548 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.11652 |
| Heavy Atoms | 13 |
| Complexity | 219.62617 |
Chemical Identifiers
| CAS Number | 31044-59-4 |
|---|---|
| SMILES | B(C1=CC=CC=C1)(OCC)OCC |
Product Overview
Diethyl phenylboronate (CAS 31044-59-4), with molecular formula C10H15BO2 and molecular weight 178.12 g/mol. IUPAC: diethoxy(phenyl)borane.
Chemical Property Profile of Diethyl phenylboronate
Property Insights of Diethyl phenylboronate
The XLogP value of 1.4548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl phenylboronate. With a topological polar surface area (TPSA) of 18.46 Ų, Diethyl phenylboronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl phenylboronate 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 Diethyl phenylboronate?
The CAS number of Diethyl phenylboronate is 31044-59-4.
What is the molecular formula of Diethyl phenylboronate?
The molecular formula of Diethyl phenylboronate is C10H15BO2.
What is the molecular weight of Diethyl phenylboronate?
The molecular weight of Diethyl phenylboronate is 178.12 g/mol.
Where can I buy Diethyl phenylboronate?
You can request a quote for Diethyl phenylboronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl phenylboronate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl phenylboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.