Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate
TL;DR: Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate (CAS 329931-91-1) is a chemical compound with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxyethylcarbamoyl)-5-nitrobenzoate
Also Known As: BIM-0029260.P001, methyl 3-(2-methoxyethylcarbamoyl)-5-nitrobenzoate, methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate, methyl 3-[(2-methoxyethyl)carbamoyl]-5-nitrobenzoate, methyl 5-[N-(2-methoxyethyl)carbamoyl]-3-nitrobenzoate
| Molecular Formula | C12H14N2O6 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 0.7576 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.08517 |
| Heavy Atoms | 20 |
| Complexity | 528.6789 |
Chemical Identifiers
| CAS Number | 329931-91-1 |
|---|---|
| SMILES | COCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate (CAS 329931-91-1), with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol. IUPAC: methyl 3-(2-methoxyethylcarbamoyl)-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate
Property Insights of Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate
The XLogP value of 0.7576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-((2-methoxyethyl)carbamoyl)-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 Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate?
The CAS number of Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate is 329931-91-1.
What is the molecular formula of Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate?
The molecular formula of Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate is C12H14N2O6.
What is the molecular weight of Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate?
The molecular weight of Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate is 282.09 g/mol.
Where can I buy Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate?
You can request a quote for Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((2-methoxyethyl)carbamoyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.