(2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate
TL;DR: (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate (CAS 331461-76-8) is a chemical compound with molecular formula C16H14BrNO6 and molecular weight 395.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate
Also Known As: (2-bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate, 2-Bromo-4,5-dimethoxybenzyl 3-nitrobenzoate, (2-bromo-4,5-dimethoxyphenyl)methyl3-nitrobenzoate, (2-bromo-4,5-dimethoxy-phenyl)methyl 3-nitrobenzoate, 2-bromo-4,5-dimethoxybenzyl 3-nitrobenzenecarboxylate
| Molecular Formula | C16H14BrNO6 |
|---|---|
| Molecular Weight | 395.00 g/mol |
| LogP | 3.7315 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.00046 |
| Heavy Atoms | 24 |
| Complexity | 777.1581 |
Chemical Identifiers
| CAS Number | 331461-76-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)OC |
Product Overview
(2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate (CAS 331461-76-8), with molecular formula C16H14BrNO6 and molecular weight 395.00 g/mol. IUPAC: (2-bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate.
Chemical Property Profile of (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate
Property Insights of (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate
The XLogP value of 3.7315 indicates that (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate. Following Lipinski's Rule of Five, (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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 (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate?
The CAS number of (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate is 331461-76-8.
What is the molecular formula of (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate?
The molecular formula of (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate is C16H14BrNO6.
What is the molecular weight of (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate?
The molecular weight of (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate is 395.00 g/mol.
Where can I buy (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate?
You can request a quote for (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.