2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate
TL;DR: 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate (CAS 85169-22-8) is a chemical compound with molecular formula C10H11BrN2O5 and molecular weight 317.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-amino-3-bromo-5-nitrobenzoate
Also Known As: 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate, EINECS 285-964-2, 4-Amino-3-bromo-5-nitrobenzoic acid 2-methoxyethyl ester, 285-964-2, RefChem:87915
| Molecular Formula | C10H11BrN2O5 |
|---|---|
| Molecular Weight | 317.99 g/mol |
| LogP | 1.7427 |
| Topological Polar Surface Area | 104.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.98514 |
| Heavy Atoms | 18 |
| Complexity | 477.581 |
Chemical Identifiers
| CAS Number | 85169-22-8 |
|---|---|
| SMILES | COCCOC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] |
Product Overview
2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate (CAS 85169-22-8), with molecular formula C10H11BrN2O5 and molecular weight 317.99 g/mol. IUPAC: 2-methoxyethyl 4-amino-3-bromo-5-nitrobenzoate.
Chemical Property Profile of 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate
Property Insights of 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate
The XLogP value of 1.7427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate. The TPSA of 104.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate. Following Lipinski's Rule of Five, 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate has 1 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-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate?
The CAS number of 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate is 85169-22-8.
What is the molecular formula of 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate?
The molecular formula of 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate is C10H11BrN2O5.
What is the molecular weight of 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate?
The molecular weight of 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate is 317.99 g/mol.
Where can I buy 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate?
You can request a quote for 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl 4-amino-3-bromo-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.