Methyl 3-(ethylcarbamoyl)benzoate
TL;DR: Methyl 3-(ethylcarbamoyl)benzoate (CAS 126926-40-7) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(ethylcarbamoyl)benzoate
Also Known As: methyl 3-(ethylcarbamoyl)benzoate, m-methoxycarbonylbenzoylethylamide, methyl3-(ethylcarbamoyl)benzoate, Methyl 3-((ethylamino)carbonyl)benzoate, Benzoic acid, 3-((ethylamino)carbonyl)-, methyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.08954 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | CCNC(=O)C1=CC(=CC=C1)C(=O)OC |
| InChIKey | NQHDZWZUXLGRST-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(ethylcarbamoyl)benzoate
Property Insights of Methyl 3-(ethylcarbamoyl)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(ethylcarbamoyl)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(ethylcarbamoyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(ethylcarbamoyl)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-(ethylcarbamoyl)benzoate?
The CAS number of Methyl 3-(ethylcarbamoyl)benzoate is 126926-40-7.
What is the molecular formula of Methyl 3-(ethylcarbamoyl)benzoate?
The molecular formula of Methyl 3-(ethylcarbamoyl)benzoate is C11H13NO3.
What is the molecular weight of Methyl 3-(ethylcarbamoyl)benzoate?
The molecular weight of Methyl 3-(ethylcarbamoyl)benzoate is 207.08954 g/mol.
Where can I buy Methyl 3-(ethylcarbamoyl)benzoate?
You can request a quote for Methyl 3-(ethylcarbamoyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(ethylcarbamoyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(ethylcarbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.