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Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
TL;DR: Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate (CAS 348604-52-4) is a chemical compound with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-ethoxycarbonylphenyl)carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate, methyl 3-((2-(ethoxycarbonyl)phenyl)carbamoyl)-5-nitrobenzoate, methyl 3-[(2-ethoxycarbonylphenyl)carbamoyl]-5-nitrobenzoate, ethyl 2-{[5-(methoxycarbonyl)-3-nitrophenyl]carbonylamino}benzoate
| Molecular Formula | C18H16N2O7 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 2.8104 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.09576 |
| Heavy Atoms | 27 |
| Complexity | 908.3332 |
Chemical Identifiers
| CAS Number | 348604-52-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate (CAS 348604-52-4), with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol. IUPAC: methyl 3-[(2-ethoxycarbonylphenyl)carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
Property Insights of Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
The XLogP value of 2.8104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-{[2-(ethoxycarbonyl)phenyl]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-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate?
The CAS number of Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate is 348604-52-4.
What is the molecular formula of Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate?
The molecular formula of Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate is C18H16N2O7.
What is the molecular weight of Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate?
The molecular weight of Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate is 372.10 g/mol.
Where can I buy Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate?
You can request a quote for Methyl 3-{[2-(ethoxycarbonyl)phenyl]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-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.