4-羧基苯硼酸
TL;DR: 4-羧基苯硼酸 (CAS 917814-66-5) is a chemical compound with molecular formula C7H7BO4 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羧基苯硼酸
4-boronobenzoic acid
Also Known As: 4-Carboxyphenylboronic acid, 4-Boronobenzoic acid, Benzoic acid, 4-borono-, 4-Carboxybenzeneboronic Acid, 4-(Dihydroxyboryl)benzoic acid
| Molecular Formula | C7H7BO4 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | -0.9354 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.04373 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 917814-66-5 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)C(=O)O)(O)O |
| InChIKey | SIAVMDKGVRXFAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羧基苯硼酸 (CAS 917814-66-5), with molecular formula C7H7BO4 and molecular weight 166.04 g/mol. IUPAC: 4-boronobenzoic acid.
Chemical Property Profile of 4-羧基苯硼酸
Property Insights of 4-羧基苯硼酸
The XLogP value of -0.9354 indicates that 4-羧基苯硼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羧基苯硼酸. Following Lipinski's Rule of Five, 4-羧基苯硼酸 has 3 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 4-羧基苯硼酸?
The CAS number of 4-羧基苯硼酸 is 917814-66-5.
What is the molecular formula of 4-羧基苯硼酸?
The molecular formula of 4-羧基苯硼酸 is C7H7BO4.
What is the molecular weight of 4-羧基苯硼酸?
The molecular weight of 4-羧基苯硼酸 is 166.04 g/mol.
Where can I buy 4-羧基苯硼酸?
You can request a quote for 4-羧基苯硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羧基苯硼酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羧基苯硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.