![Ethyl 4-[(cyanocarbonyl)amino]benzoate structure](/static/products/737/73708-74-4.png)
Ethyl 4-[(cyanocarbonyl)amino]benzoate
TL;DR: Ethyl 4-[(cyanocarbonyl)amino]benzoate (CAS 73708-74-4) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(carbonocyanidoylamino)benzoate
Also Known As: Ethyl 4-(carbonocyanidoylamino)benzoate, ethyl 4-[(cyanocarbonyl)amino]benzoate, N-(4-ethoxycarbonylphenyl)cyanoformamide
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.32538 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 431.53806 |
Chemical Identifiers
| CAS Number | 73708-74-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C#N |
Product Overview
Ethyl 4-[(cyanocarbonyl)amino]benzoate (CAS 73708-74-4), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: ethyl 4-(carbonocyanidoylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(cyanocarbonyl)amino]benzoate
Property Insights of Ethyl 4-[(cyanocarbonyl)amino]benzoate
The XLogP value of 1.32538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(cyanocarbonyl)amino]benzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(cyanocarbonyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(cyanocarbonyl)amino]benzoate has 1 hydrogen bond donor(s) and 4 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-[(cyanocarbonyl)amino]benzoate?
The CAS number of Ethyl 4-[(cyanocarbonyl)amino]benzoate is 73708-74-4.
What is the molecular formula of Ethyl 4-[(cyanocarbonyl)amino]benzoate?
The molecular formula of Ethyl 4-[(cyanocarbonyl)amino]benzoate is C11H10N2O3.
What is the molecular weight of Ethyl 4-[(cyanocarbonyl)amino]benzoate?
The molecular weight of Ethyl 4-[(cyanocarbonyl)amino]benzoate is 218.07 g/mol.
Where can I buy Ethyl 4-[(cyanocarbonyl)amino]benzoate?
You can request a quote for Ethyl 4-[(cyanocarbonyl)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-[(cyanocarbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(cyanocarbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.