苯基硼酸
TL;DR: 苯基硼酸 (CAS 98-80-6) is a chemical compound with molecular formula C6H7BO2 and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基硼酸
phenylboronic acid
Also Known As: Phenylboronic acid, Benzeneboronic acid, Phenylboric acid, Phenylboronicacid, Boronic acid, phenyl-
| Molecular Formula | C6H7BO2 |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.05391 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Boiling Point | 219 °C @760 [mm Hg] |
| Vapor Pressure | 0.00000856 [mmHg] |
Chemical Identifiers
| CAS Number | 98-80-6 |
|---|---|
| SMILES | B(C1=CC=CC=C1)(O)O |
| InChIKey | HXITXNWTGFUOAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基硼酸 (CAS 98-80-6), with molecular formula C6H7BO2 and molecular weight 122.05 g/mol. IUPAC: phenylboronic acid.
Chemical Property Profile of 苯基硼酸
Property Insights of 苯基硼酸
The XLogP value of -0.63 indicates that 苯基硼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 苯基硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基硼酸 has 2 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 苯基硼酸?
The CAS number of 苯基硼酸 is 98-80-6.
What is the molecular formula of 苯基硼酸?
The molecular formula of 苯基硼酸 is C6H7BO2.
What is the molecular weight of 苯基硼酸?
The molecular weight of 苯基硼酸 is 122.05 g/mol.
Where can I buy 苯基硼酸?
You can request a quote for 苯基硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基硼酸?
Yes, KEHONG BIO provides custom synthesis services for 苯基硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.