Phenyl dihydrogen orthoborate
TL;DR: Phenyl dihydrogen orthoborate (CAS 4688-74-8) is a chemical compound with molecular formula C6H7BO3 and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenoxyboronic acid
Also Known As: Phenylboric acid, phenoxyboronic acid, Phenyl dihydrogen orthoborate, phenyl boric acid, Borsaurephenylester
| Molecular Formula | C6H7BO3 |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 0.03 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.04883 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 4688-74-8 |
|---|---|
| SMILES | B(O)(O)OC1=CC=CC=C1 |
| InChIKey | OSCBARYHPZZEIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl dihydrogen orthoborate (CAS 4688-74-8), with molecular formula C6H7BO3 and molecular weight 138.05 g/mol. IUPAC: phenoxyboronic acid.
Chemical Property Profile of Phenyl dihydrogen orthoborate
Property Insights of Phenyl dihydrogen orthoborate
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl dihydrogen orthoborate. With a topological polar surface area (TPSA) of 49.7 Ų, Phenyl dihydrogen orthoborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl dihydrogen orthoborate has 2 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 Phenyl dihydrogen orthoborate?
The CAS number of Phenyl dihydrogen orthoborate is 4688-74-8.
What is the molecular formula of Phenyl dihydrogen orthoborate?
The molecular formula of Phenyl dihydrogen orthoborate is C6H7BO3.
What is the molecular weight of Phenyl dihydrogen orthoborate?
The molecular weight of Phenyl dihydrogen orthoborate is 138.05 g/mol.
Where can I buy Phenyl dihydrogen orthoborate?
You can request a quote for Phenyl dihydrogen orthoborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl dihydrogen orthoborate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl dihydrogen orthoborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.