3-(Dihydroxyboranyl)-5-nitrobenzoic acid
TL;DR: 3-(Dihydroxyboranyl)-5-nitrobenzoic acid (CAS 101084-81-5) is a chemical compound with molecular formula C7H6BNO6 and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-borono-5-nitrobenzoic acid
Also Known As: 3-borono-5-nitrobenzoic acid, 3-Carboxy-5-nitrophenylboronic acid, Benzoic acid, 3-borono-5-nitro-, 5-Nitro-3-carboxyphenylboronic acid, (3-carboxy-5-nitrophenyl)boronic acid
| Molecular Formula | C7H6BNO6 |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | -1.0272 |
| Topological Polar Surface Area | 120.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.02882 |
| Heavy Atoms | 15 |
| Complexity | 385.69147 |
Chemical Identifiers
| CAS Number | 101084-81-5 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O |
Product Overview
3-(Dihydroxyboranyl)-5-nitrobenzoic acid (CAS 101084-81-5), with molecular formula C7H6BNO6 and molecular weight 211.03 g/mol. IUPAC: 3-borono-5-nitrobenzoic acid.
Chemical Property Profile of 3-(Dihydroxyboranyl)-5-nitrobenzoic acid
Property Insights of 3-(Dihydroxyboranyl)-5-nitrobenzoic acid
The XLogP value of -1.0272 indicates that 3-(Dihydroxyboranyl)-5-nitrobenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dihydroxyboranyl)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-(Dihydroxyboranyl)-5-nitrobenzoic acid has 3 hydrogen bond donor(s) and 5 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-(Dihydroxyboranyl)-5-nitrobenzoic acid?
The CAS number of 3-(Dihydroxyboranyl)-5-nitrobenzoic acid is 101084-81-5.
What is the molecular formula of 3-(Dihydroxyboranyl)-5-nitrobenzoic acid?
The molecular formula of 3-(Dihydroxyboranyl)-5-nitrobenzoic acid is C7H6BNO6.
What is the molecular weight of 3-(Dihydroxyboranyl)-5-nitrobenzoic acid?
The molecular weight of 3-(Dihydroxyboranyl)-5-nitrobenzoic acid is 211.03 g/mol.
Where can I buy 3-(Dihydroxyboranyl)-5-nitrobenzoic acid?
You can request a quote for 3-(Dihydroxyboranyl)-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dihydroxyboranyl)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dihydroxyboranyl)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.