Methyl 2-(diethylcarbamoyl)benzoate
TL;DR: Methyl 2-(diethylcarbamoyl)benzoate (CAS 26593-44-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(diethylcarbamoyl)benzoate
Also Known As: methyl 2-(diethylcarbamoyl)benzoate, Methylo-diethylcarbamoylbenzoate, Benzoic acid,2-[(diethylamino)carbonyl]-, methyl ester
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 26593-44-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | RLFUJBUIZBIJND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(diethylcarbamoyl)benzoate (CAS 26593-44-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: methyl 2-(diethylcarbamoyl)benzoate.
Chemical Property Profile of Methyl 2-(diethylcarbamoyl)benzoate
Property Insights of Methyl 2-(diethylcarbamoyl)benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(diethylcarbamoyl)benzoate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 2-(diethylcarbamoyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(diethylcarbamoyl)benzoate has 0 hydrogen bond donor(s) and 3 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 2-(diethylcarbamoyl)benzoate?
The CAS number of Methyl 2-(diethylcarbamoyl)benzoate is 26593-44-2.
What is the molecular formula of Methyl 2-(diethylcarbamoyl)benzoate?
The molecular formula of Methyl 2-(diethylcarbamoyl)benzoate is C13H17NO3.
What is the molecular weight of Methyl 2-(diethylcarbamoyl)benzoate?
The molecular weight of Methyl 2-(diethylcarbamoyl)benzoate is 235.12 g/mol.
Where can I buy Methyl 2-(diethylcarbamoyl)benzoate?
You can request a quote for Methyl 2-(diethylcarbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(diethylcarbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(diethylcarbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.