![Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate structure](/static/products/3299/329931-75-1.webp)
Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
TL;DR: Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate (CAS 329931-75-1) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate, methyl 3-((2-ethyl-6-methylphenyl)carbamoyl)-5-nitrobenzoate, methyl 5-[N-(6-ethyl-2-methylphenyl)carbamoyl]-3-nitrobenzoate
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 329931-75-1 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C |
| InChIKey | CUXOUESFBMRBHS-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate (CAS 329931-75-1), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
Property Insights of Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate is 329931-75-1.
What is the molecular formula of Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate is C18H18N2O5.
What is the molecular weight of Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate is 342.12 g/mol.
Where can I buy Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[(2-ethyl-6-methylphenyl)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-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.