methyl}carbamoyl)amino]benzoate structure](/static/products/3135/313553-18-3.webp)
Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate
TL;DR: Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate (CAS 313553-18-3) is a chemical compound with molecular formula C15H19N3O6 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(N-ethoxycarbonyl-C-methoxycarbonimidoyl)carbamoylamino]benzoate
Also Known As: Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate, ethyl 4-[(N-ethoxycarbonyl-C-methoxycarbonimidoyl)carbamoylamino]benzoate, Ethyl 4-[[[[[(ethoxycarbonyl)amino]methoxymethylene]amino]carbonyl]amino]benzoate, Benzoic acid, 4-[[[[[(ethoxycarbonyl)imino]methoxymethyl]amino]carbonyl]amino]-, ethyl ester
| Molecular Formula | C15H19N3O6 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.12738 |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 313553-18-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=NC(=O)OCC)OC |
| InChIKey | GPWZKKSEIWIXPY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate (CAS 313553-18-3), with molecular formula C15H19N3O6 and molecular weight 337.13 g/mol. IUPAC: ethyl 4-[(N-ethoxycarbonyl-C-methoxycarbonimidoyl)carbamoylamino]benzoate.
Chemical Property Profile of Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate
Property Insights of Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate has 2 hydrogen bond donor(s) and 6 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 Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate?
The CAS number of Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate is 313553-18-3.
What is the molecular formula of Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate?
The molecular formula of Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate is C15H19N3O6.
What is the molecular weight of Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate?
The molecular weight of Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate is 337.13 g/mol.
Where can I buy Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate?
You can request a quote for Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}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 Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[({[(ethoxycarbonyl)imino](methoxy)methyl}carbamoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.