3-甲苯基硼酸
TL;DR: 3-甲苯基硼酸 (CAS 17933-03-8) 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.
3-甲苯基硼酸
(3-methylphenyl)boronic acid
Also Known As: 3-Tolylboronic acid, m-Tolylboronic acid, 3-Methylphenylboronic acid, (3-Methylphenyl)boronic acid, 3-Methylbenzeneboronic Acid
| Molecular Formula | C7H9BO2 |
|---|---|
| Molecular Weight | 136.07 g/mol |
| LogP | -0.32518 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.06956 |
| Heavy Atoms | 10 |
| Complexity | 222.60103 |
Chemical Identifiers
| CAS Number | 17933-03-8 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C)(O)O |
Product Overview
3-甲苯基硼酸 (CAS 17933-03-8), with molecular formula C7H9BO2 and molecular weight 136.07 g/mol. IUPAC: (3-methylphenyl)boronic acid.
Chemical Property Profile of 3-甲苯基硼酸
Property Insights of 3-甲苯基硼酸
The XLogP value of -0.32518 indicates that 3-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 40.46 Ų, 3-甲苯基硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-甲苯基硼酸?
The CAS number of 3-甲苯基硼酸 is 17933-03-8.
What is the molecular formula of 3-甲苯基硼酸?
The molecular formula of 3-甲苯基硼酸 is C7H9BO2.
What is the molecular weight of 3-甲苯基硼酸?
The molecular weight of 3-甲苯基硼酸 is 136.07 g/mol.
Where can I buy 3-甲苯基硼酸?
You can request a quote for 3-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 3-甲苯基硼酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲苯基硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.