3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid
TL;DR: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid (CAS 377780-80-8) is a chemical compound with molecular formula C13H16BNO6 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Also Known As: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid, 3-Carboxy-5-nitrophenylboronic acid, pinacol ester, 3-Carboxy-5-nitrophenylboronic acid pinacol ester, (3-Carboxy-5-nitrophenyl)boronic acid, pinacol ester, 3-CARBXY-5-NTROBNZENEBORNIC 1G.
| Molecular Formula | C13H16BNO6 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 1.5922 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.10706 |
| Heavy Atoms | 21 |
| Complexity | 564.4291 |
Chemical Identifiers
| CAS Number | 377780-80-8 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O |
Product Overview
3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid (CAS 377780-80-8), with molecular formula C13H16BNO6 and molecular weight 293.11 g/mol. IUPAC: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.
Chemical Property Profile of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid
Property Insights of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid
The XLogP value of 1.5922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid. Following Lipinski's Rule of Five, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid has 1 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-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid?
The CAS number of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid is 377780-80-8.
What is the molecular formula of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid?
The molecular formula of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid is C13H16BNO6.
What is the molecular weight of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid?
The molecular weight of 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid is 293.11 g/mol.
Where can I buy 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid?
You can request a quote for 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.