![[3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid structure](/static/products/6932/693235-36-8.webp)
[3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid
TL;DR: [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid (CAS 693235-36-8) is a chemical compound with molecular formula C20H14B2N2O12 and molecular weight 496.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[4-(3-borono-5-nitrobenzoyl)oxyphenoxy]carbonyl-5-nitrophenyl]boronic acid
Also Known As: cmdc.202100576, 4b, acs.jmedchem.1c00409_ST.363, J2.052.942C, Benzoic acid, 3-borono-5-nitro-, 1,4-phenylene ester, Bis[3-nitro-5-(dihydroxyboryl)benzoic acid]1,4-phenylene ester
| Molecular Formula | C20H14B2N2O12 |
|---|---|
| Molecular Weight | 496.07 g/mol |
| LogP | -0.699 |
| Topological Polar Surface Area | 219.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.07327 |
| Heavy Atoms | 36 |
| Complexity | 1242.5242 |
Chemical Identifiers
| CAS Number | 693235-36-8 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)B(O)O)[N+](=O)[O-])(O)O |
Product Overview
[3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid (CAS 693235-36-8), with molecular formula C20H14B2N2O12 and molecular weight 496.07 g/mol. IUPAC: [3-[4-(3-borono-5-nitrobenzoyl)oxyphenoxy]carbonyl-5-nitrophenyl]boronic acid.
Chemical Property Profile of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid
Property Insights of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid
The XLogP value of -0.699 indicates that [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.8 Ų indicates high polarity, suggesting [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid?
The CAS number of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid is 693235-36-8.
What is the molecular formula of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid?
The molecular formula of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid is C20H14B2N2O12.
What is the molecular weight of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid?
The molecular weight of [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid is 496.07 g/mol.
Where can I buy [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid?
You can request a quote for [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-[4-(3-Borono-5-nitro-benzoyl)oxyphenoxy]carbonyl-5-nitro-phenyl]boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.