![Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate structure](/static/products/329/329931-90-0.png)
Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
TL;DR: Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate (CAS 329931-90-0) is a chemical compound with molecular formula C13H14N2O7 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate, BIM-0029575.P001, ethyl 2-{[5-(methoxycarbonyl)-3-nitrophenyl]carbonylamino}acetate, methyl 3-{[(2-ethoxy-2-oxoethyl)amino]carbonyl}-5-nitrobenzoate
| Molecular Formula | C13H14N2O7 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 0.6743 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.0801 |
| Heavy Atoms | 22 |
| Complexity | 612.4062 |
Chemical Identifiers
| CAS Number | 329931-90-0 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate (CAS 329931-90-0), with molecular formula C13H14N2O7 and molecular weight 310.08 g/mol. IUPAC: methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
Property Insights of Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
The XLogP value of 0.6743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate has 1 hydrogen bond donor(s) and 7 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-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate is 329931-90-0.
What is the molecular formula of Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate is C13H14N2O7.
What is the molecular weight of Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate is 310.08 g/mol.
Where can I buy Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[(2-ethoxy-2-oxoethyl)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-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.