3-Amino-5-carboxybenzeneboronic acid
TL;DR: 3-Amino-5-carboxybenzeneboronic acid (CAS 116378-71-3) is a chemical compound with molecular formula C7H8BNO4 and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-boronobenzoic acid
Also Known As: 3-amino-5-boronobenzoic acid, 3-Amino-5-carboxylphenylboronic acid, Benzoic acid, 3-amino-5-borono-, 3-Amino-5-carboxyphenylboronic acid, 3-amino-5-borono-benzoic Acid
| Molecular Formula | C7H8BNO4 |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | -1.3532 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05464 |
| Heavy Atoms | 13 |
| Complexity | 339.26447 |
Chemical Identifiers
| CAS Number | 116378-71-3 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1)N)C(=O)O)(O)O |
Product Overview
3-Amino-5-carboxybenzeneboronic acid (CAS 116378-71-3), with molecular formula C7H8BNO4 and molecular weight 181.05 g/mol. IUPAC: 3-amino-5-boronobenzoic acid.
Chemical Property Profile of 3-Amino-5-carboxybenzeneboronic acid
Property Insights of 3-Amino-5-carboxybenzeneboronic acid
The XLogP value of -1.3532 indicates that 3-Amino-5-carboxybenzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-carboxybenzeneboronic acid. Following Lipinski's Rule of Five, 3-Amino-5-carboxybenzeneboronic acid 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 3-Amino-5-carboxybenzeneboronic acid?
The CAS number of 3-Amino-5-carboxybenzeneboronic acid is 116378-71-3.
What is the molecular formula of 3-Amino-5-carboxybenzeneboronic acid?
The molecular formula of 3-Amino-5-carboxybenzeneboronic acid is C7H8BNO4.
What is the molecular weight of 3-Amino-5-carboxybenzeneboronic acid?
The molecular weight of 3-Amino-5-carboxybenzeneboronic acid is 181.05 g/mol.
Where can I buy 3-Amino-5-carboxybenzeneboronic acid?
You can request a quote for 3-Amino-5-carboxybenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-carboxybenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-carboxybenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.