2-Methoxyethyl 4-amino-3-nitrobenzoate
TL;DR: 2-Methoxyethyl 4-amino-3-nitrobenzoate (CAS 83178-13-6) is a chemical compound with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-amino-3-nitrobenzoate
Also Known As: 2-Methoxyethyl 4-amino-3-nitrobenzoate, EINECS 280-210-9, 2-methoxyethyl4-amino-3-nitrobenzoate, 4-Amino-3-nitrobenzoic acid 2-methoxyethyl ester, Benzoic acid, 4-amino-3-nitro-, 2-methoxyethyl ester
| Molecular Formula | C10H12N2O5 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 0.9802 |
| Topological Polar Surface Area | 104.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.07462 |
| Heavy Atoms | 17 |
| Complexity | 432.70447 |
Chemical Identifiers
| CAS Number | 83178-13-6 |
|---|---|
| SMILES | COCCOC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
Product Overview
2-Methoxyethyl 4-amino-3-nitrobenzoate (CAS 83178-13-6), with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol. IUPAC: 2-methoxyethyl 4-amino-3-nitrobenzoate.
Chemical Property Profile of 2-Methoxyethyl 4-amino-3-nitrobenzoate
Property Insights of 2-Methoxyethyl 4-amino-3-nitrobenzoate
The XLogP value of 0.9802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl 4-amino-3-nitrobenzoate. The TPSA of 104.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl 4-amino-3-nitrobenzoate. Following Lipinski's Rule of Five, 2-Methoxyethyl 4-amino-3-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-nitrobenzoate?
The CAS number of 2-Methoxyethyl 4-amino-3-nitrobenzoate is 83178-13-6.
What is the molecular formula of 2-Methoxyethyl 4-amino-3-nitrobenzoate?
The molecular formula of 2-Methoxyethyl 4-amino-3-nitrobenzoate is C10H12N2O5.
What is the molecular weight of 2-Methoxyethyl 4-amino-3-nitrobenzoate?
The molecular weight of 2-Methoxyethyl 4-amino-3-nitrobenzoate is 240.07 g/mol.
Where can I buy 2-Methoxyethyl 4-amino-3-nitrobenzoate?
You can request a quote for 2-Methoxyethyl 4-amino-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-Methoxyethyl 4-amino-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl 4-amino-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.