甲苯基硼酸
TL;DR: 甲苯基硼酸 (CAS 5720-05-8) is a chemical compound with molecular formula C7H9BO2 and molecular weight 136.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲苯基硼酸
(4-methylphenyl)boronic acid
Also Known As: 4-Tolylboronic acid, p-Tolylboronic acid, 4-Methylphenylboronic acid, (4-methylphenyl)boronic acid, 4-Methylbenzeneboronic acid
| Molecular Formula | C7H9BO2 |
|---|---|
| Molecular Weight | 136.07 g/mol |
| LogP | -0.33 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.06956 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 5720-05-8 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)C)(O)O |
| InChIKey | BIWQNIMLAISTBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲苯基硼酸 (CAS 5720-05-8), with molecular formula C7H9BO2 and molecular weight 136.07 g/mol. IUPAC: (4-methylphenyl)boronic acid.
Chemical Property Profile of 甲苯基硼酸
Property Insights of 甲苯基硼酸
The XLogP value of -0.33 indicates that 甲苯基硼酸 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, 甲苯基硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲苯基硼酸 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 甲苯基硼酸?
The CAS number of 甲苯基硼酸 is 5720-05-8.
What is the molecular formula of 甲苯基硼酸?
The molecular formula of 甲苯基硼酸 is C7H9BO2.
What is the molecular weight of 甲苯基硼酸?
The molecular weight of 甲苯基硼酸 is 136.07 g/mol.
Where can I buy 甲苯基硼酸?
You can request a quote for 甲苯基硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲苯基硼酸?
Yes, KEHONG BIO provides custom synthesis services for 甲苯基硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.