苯乙基硼酸
TL;DR: 苯乙基硼酸 (CAS 34420-17-2) is a chemical compound with molecular formula C8H11BO2 and molecular weight 150.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙基硼酸
2-phenylethylboronic acid
Also Known As: Phenethylboronic acid, 2-phenylethylboronic acid, Phenylethane boronic acid, PEBA, 2-Phenyl-1-ethylboronic acid
| Molecular Formula | C8H11BO2 |
|---|---|
| Molecular Weight | 150.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.0852 |
| Heavy Atoms | 11 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 34420-17-2 |
|---|---|
| SMILES | B(CCC1=CC=CC=C1)(O)O |
| InChIKey | VPRUMANMDWQMNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙基硼酸 (CAS 34420-17-2), with molecular formula C8H11BO2 and molecular weight 150.09 g/mol. IUPAC: 2-phenylethylboronic acid.
Chemical Property Profile of 苯乙基硼酸
Property Insights of 苯乙基硼酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙基硼酸. With a topological polar surface area (TPSA) of 40.5 Ų, 苯乙基硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙基硼酸 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 苯乙基硼酸?
The CAS number of 苯乙基硼酸 is 34420-17-2.
What is the molecular formula of 苯乙基硼酸?
The molecular formula of 苯乙基硼酸 is C8H11BO2.
What is the molecular weight of 苯乙基硼酸?
The molecular weight of 苯乙基硼酸 is 150.09 g/mol.
Where can I buy 苯乙基硼酸?
You can request a quote for 苯乙基硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙基硼酸?
Yes, KEHONG BIO provides custom synthesis services for 苯乙基硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.