1,4-苯二硼酸
TL;DR: 1,4-苯二硼酸 (CAS 19241-15-7) is a chemical compound with molecular formula C6H8B2O4 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-苯二硼酸
(4-boronophenyl)boronic acid
Also Known As: 1,4-Phenylenediboronic Acid, 1,4-Benzenediboronic acid, 1,4-Phenylenebisboronic acid, Benzene-1,4-diboronic acid, (4-boronophenyl)boronic acid
| Molecular Formula | C6H8B2O4 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | -2.9538 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06087 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 19241-15-7 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)B(O)O)(O)O |
| InChIKey | BODYVHJTUHHINQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-苯二硼酸 (CAS 19241-15-7), with molecular formula C6H8B2O4 and molecular weight 166.06 g/mol. IUPAC: (4-boronophenyl)boronic acid.
Chemical Property Profile of 1,4-苯二硼酸
Property Insights of 1,4-苯二硼酸
The XLogP value of -2.9538 indicates that 1,4-苯二硼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-苯二硼酸. Following Lipinski's Rule of Five, 1,4-苯二硼酸 has 4 hydrogen bond donor(s) and 4 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 1,4-苯二硼酸?
The CAS number of 1,4-苯二硼酸 is 19241-15-7.
What is the molecular formula of 1,4-苯二硼酸?
The molecular formula of 1,4-苯二硼酸 is C6H8B2O4.
What is the molecular weight of 1,4-苯二硼酸?
The molecular weight of 1,4-苯二硼酸 is 166.06 g/mol.
Where can I buy 1,4-苯二硼酸?
You can request a quote for 1,4-苯二硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-苯二硼酸?
Yes, KEHONG BIO provides custom synthesis services for 1,4-苯二硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.