![Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate structure](/static/products/7875/78754-93-5.webp)
Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate
TL;DR: Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate (CAS 78754-93-5) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
Also Known As: methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate, methyl 2-(3-(2-ethoxy-2-oxoethyl)ureido)benzoate, methyl 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 78754-93-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)NC1=CC=CC=C1C(=O)OC |
| InChIKey | TUMHNVNBFCXYLF-UHFFFAOYSA-N |
Product Overview
Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate (CAS 78754-93-5), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: methyl 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate.
Chemical Property Profile of Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate
Property Insights of Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate has 2 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 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate?
The CAS number of Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate is 78754-93-5.
What is the molecular formula of Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate?
The molecular formula of Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate is C13H16N2O5.
What is the molecular weight of Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate?
The molecular weight of Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate is 280.11 g/mol.
Where can I buy Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate?
You can request a quote for Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}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-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.